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AttentiveSkin

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2
AttentiveSkin / Irrit_Neg /test.csv
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haneulpark
Rename Irrit_Neg/I_test.csv to Irrit_Neg/test.csv
e297701 verified
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87.4 kB
Name,Synonym,CAS RN,Y,Detailed Page,Evidence,OECD TG 404,Data Source,Frequency,SMILES,SMILES URL,SMILES Source,Canonical SMILES,Split
"EU_CLP:
N,N'-(2,2-dimethylpropylidene)hexamethylenediamine",,1000-78-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)(C)C=NCCCCCCN,https://pubchem.ncbi.nlm.nih.gov/compound/53431421,PubChem,CC(C)(C)C=NCCCCCCN,Test
"EU_CLP:
isobutyl 3,4-epoxybutyrate",,100181-71-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)COC(=O)CC1CO1,https://pubchem.ncbi.nlm.nih.gov/compound/5463767,PubChem,CC(C)COC(=O)CC1CO1,Test
"EU_CLP:
8,9,10-trinorborn-2-yl acrylate",,10027-06-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CC(=O)OC1CC2CCC1C2,https://pubchem.ncbi.nlm.nih.gov/compound/111992,PubChem,C=CC(=O)OC1CC2CCC1C2,Test
"EU_CLP:
α-chlorotoluene; benzyl chloride",,100-44-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,ClCc1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/7503,PubChem,ClCc1ccccc1,Test
"ChemSkin:
Benzyl alcohol",,100-51-6,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,OCc1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/244,PubChem,OCc1ccccc1,Test
"EU_REACH:
4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline",,10081-67-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13882/7/4/2/?documentUUID=b12c4b0f-ec38-4481-8b65-202c331af8d8,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(c1ccccc1)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/82343,PubChem,CC(C)(c1ccccc1)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)cc1,Test
"EU_CLP:
anilazine (ISO); 2-chloro-N-(4,6-dichloro-1,3,5-triazin-2-yl)aniline",,101-05-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Clc1nc(Cl)nc(Nc2ccccc2Cl)n1,https://pubchem.ncbi.nlm.nih.gov/compound/7541,PubChem,Clc1nc(Cl)nc(Nc2ccccc2Cl)n1,Test
"ChemSkin:
1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea",,101-20-2,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/7547,PubChem,O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1,Test
"EU_REACH:
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol",,10191-41-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11866/7/4/2/?documentUUID=54d457b2-88a6-434f-a92a-c8c95ee69e50,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,https://pubchem.ncbi.nlm.nih.gov/compound/2116,PubChem,Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2,Test
"EU_CLP:
1,3-diphenylguanidine",,102-06-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,NC(=Nc1ccccc1)Nc1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/7594,PubChem,NC(=Nc1ccccc1)Nc1ccccc1,Test
"EU_CLP:
4-[3-(diethoxymethylsilylpropoxy)-2,2,6,6-tetramethyl]piperidine",,102089-33-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCO[Si](C)(CCCOC1CC(C)(C)NC(C)(C)C1)OCC,https://pubchem.ncbi.nlm.nih.gov/compound/54207826,PubChem,CCO[Si](C)(CCCOC1CC(C)(C)NC(C)(C)C1)OCC,Test
"EU_CLP:
1,3-dimethyl-1,3-bis(trimethylsilyl)urea",,10218-17-4,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CN(C(=O)N(C)[Si](C)(C)C)[Si](C)(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/12479153,PubChem,CN(C(=O)N(C)[Si](C)(C)C)[Si](C)(C)C,Test
"EU_CLP:
4-chlorophenylisocyanate",,104-12-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C=Nc1ccc(Cl)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/7693,PubChem,O=C=Nc1ccc(Cl)cc1,Test
"EU_CLP:
p-toluenesulphonic acid (containing a maximum of 5 % H2SO4)",,104-15-4,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Cc1ccc(S(=O)(=O)O)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/6101,PubChem,Cc1ccc(S(=O)(=O)O)cc1,Test
"EU_CLP:
2,2-dimethyl 3-methyl-3-butenyl propanoate",,104468-21-5,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=C(C)CCOC(=O)C(C)(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/53428828,PubChem,C=C(C)CCOC(=O)C(C)(C)C,Test
"EU_CLP:
tetrahydrofuran-2,5-diyldimethanol",,104-80-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,OCC1CCC(CO)O1,https://pubchem.ncbi.nlm.nih.gov/compound/97792,PubChem,OCC1CCC(CO)O1,Test
"EU_CLP:
2-diethylaminoethyl methacrylate",,105-16-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=C(C)C(=O)OCCN(CC)CC,https://pubchem.ncbi.nlm.nih.gov/compound/61012,PubChem,C=C(C)C(=O)OCCN(CC)CC,Test
"EU_REACH:
2-hydroxy-4'-hydroxyethoxy-2-methylpropiophenone",,106797-53-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1581/7/4/2/?documentUUID=fa204906-e95f-42bb-9b78-085ea461eb80,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(O)C(=O)c1ccc(OCCO)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/86266,PubChem,CC(C)(O)C(=O)c1ccc(OCCO)cc1,Test
"EU_CLP:
1,2-epoxybutane",,106-88-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCC1CO1,https://pubchem.ncbi.nlm.nih.gov/compound/7834,PubChem,CCC1CO1,Test
"EU_CLP:
1-bromopropane; n-propyl bromide",,106-94-5,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCBr,https://pubchem.ncbi.nlm.nih.gov/compound/7840,PubChem,CCCBr,Test
"EU_CLP:
1,2-dichloroethane; ethylene dichloride",,107-06-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,ClCCCl,https://pubchem.ncbi.nlm.nih.gov/compound/11,PubChem,ClCCCl,Test
"EU_REACH:
N-[11-(dichloromethylidene)tricyclo[6.2.1.0²,⁷]undeca-2,4,6-trien-3-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide",,1072957-71-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11028/7/4/2/?documentUUID=f69725da-1cdd-4631-94dc-4e5bb7b31798,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,Cn1cc(C(=O)Nc2cccc3c2C2CCC3C2=C(Cl)Cl)c(C(F)F)n1,https://pubchem.ncbi.nlm.nih.gov/compound/53491464,PubChem,Cn1cc(C(=O)Nc2cccc3c2C2CCC3C2=C(Cl)Cl)c(C(F)F)n1,Test
"EU_CLP:
2-methylpentane-2,4-diol",,107-41-5,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(O)CC(C)(C)O,https://pubchem.ncbi.nlm.nih.gov/compound/7870,PubChem,CC(O)CC(C)(C)O,Test
"ChemSkin:
Hydroxycitronellal",,107-75-5,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CC(CC=O)CCCC(C)(C)O,https://pubchem.ncbi.nlm.nih.gov/compound/7888,PubChem,CC(CC=O)CCCC(C)(C)O,Test
"EU_REACH:
1,4,5,8-tetrakis[(4-butylphenyl)amino]-9,10-dihydroanthracene-9,10-dione",,108313-21-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/30120/7/4/2/?documentUUID=b23202ed-0739-4568-8f45-7067c52ae660,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCc1ccc(Nc2ccc(Nc3ccc(CCCC)cc3)c3c2C(=O)c2c(Nc4ccc(CCCC)cc4)ccc(Nc4ccc(CCCC)cc4)c2C3=O)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/15918419,PubChem,CCCCc1ccc(Nc2ccc(Nc3ccc(CCCC)cc3)c3c2C(=O)c2c(Nc4ccc(CCCC)cc4)ccc(Nc4ccc(CCCC)cc4)c2C3=O)cc1,Test
"EU_CLP:
resorcinol; 1,3-benzenediol",,108-46-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Oc1cccc(O)c1,https://pubchem.ncbi.nlm.nih.gov/compound/5054,PubChem,Oc1cccc(O)c1,Test
"EU_CLP:
4-(4-nitrophenylazo)-2,6-di-sec-butyl-phenol",,111850-24-9,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCC(C)c1cc(N=Nc2ccc([N+](=O)[O-])cc2)cc(C(C)CC)c1O,https://pubchem.ncbi.nlm.nih.gov/compound/136029257,PubChem,CCC(C)c1cc(N=Nc2ccc([N+](=O)[O-])cc2)cc(C(C)CC)c1O,Test
"ChemSkin:
3,3′-Dithiodipropionic acid",,1119-62-6,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=C(O)CCSSCCC(=O)O,https://pubchem.ncbi.nlm.nih.gov/compound/95116,PubChem,O=C(O)CCSSCCC(=O)O,Test
"ChemSkin:
Triethylene glycol",,112-27-6,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,OCCOCCOCCO,https://pubchem.ncbi.nlm.nih.gov/compound/8172,PubChem,OCCOCCOCCO,Test
"ChemSkin:
Methyl palmitate ####",,112-39-0,Cat 2,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCCCCCCCCCCCCCC(=O)OC,https://pubchem.ncbi.nlm.nih.gov/compound/8181,PubChem,CCCCCCCCCCCCCCCC(=O)OC,Test
"ChemSkin:
Methyl stearate #",,112-61-8,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCCCCCCCCCCCCCCCC(=O)OC,https://pubchem.ncbi.nlm.nih.gov/compound/8201,PubChem,CCCCCCCCCCCCCCCCCC(=O)OC,Test
"EU_REACH:
3,3-dimethoxy-8,8,9,9-tetramethyl-2-oxa-7-thia-3,8-disiladecane",,1128026-41-4,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1923/7/4/2/?documentUUID=c629abdf-5a6e-4694-8773-e687fdcd930f,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CO[Si](CCCS[Si](C)(C)C(C)(C)C)(OC)OC,https://pubchem.ncbi.nlm.nih.gov/compound/89888895,PubChem,CO[Si](CCCS[Si](C)(C)C(C)(C)C)(OC)OC,Test
"ChemSkin:
Erucamide",,112-84-5,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,https://pubchem.ncbi.nlm.nih.gov/compound/5365371,PubChem,CCCCCCCC/C=C\CCCCCCCCCCCC(N)=O,Test
"EU_CLP:
3-(2-bromopropionoyl)-4,4-dimethyl-1,3-oxazolan-2-one",,114341-88-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(Br)C(=O)N1C(=O)OCC1(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/9856314,PubChem,CC(Br)C(=O)N1C(=O)OCC1(C)C,Test
"EU_CLP:
1,4,5,6,7,7-hexachlorobicyclo [2,2,1]hept-5-ene-2,3-dicarboxylic anhydride chlorendic anhydride",,115-27-5,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C1OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/8265,PubChem,O=C1OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,Test
"EU_CLP:
2-(2-(2-hydroxyethoxy)ethyl)-2-aza-bicyclo[2.2.1]heptane",,116230-20-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,OCCOCCN1CC2CCC1C2,https://pubchem.ncbi.nlm.nih.gov/compound/19854916,PubChem,OCCOCCN1CC2CCC1C2,Test
"EU_REACH:
methyl (3E)-1-(2-chloroacetyl)-3-[methoxy(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate",,1174335-83-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26473/7/4/2/?documentUUID=3d05fb27-909c-4bd2-ae30-cbf16acf2100,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COC(=O)c1ccc2c(c1)N(C(=O)CCl)C(=O)/C2=C(/OC)c1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/42634135,PubChem,COC(=O)c1ccc2c(c1)N(C(=O)CCl)C(=O)/C2=C(/OC)c1ccccc1,Test
"EU_CLP:
spiroxamine (ISO); 8-tert-butyl-1,4-dioxaspiro[4.5]decan-2-ylmethyl(ethyl)(propyl)amine",,118134-30-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1,https://pubchem.ncbi.nlm.nih.gov/compound/86160,PubChem,CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1,Test
"EU_REACH:
8-tert-butyl-2-(chloromethyl)-1,4-dioxaspiro[4.5]decane",,118135-28-7,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1540/7/4/2/?documentUUID=40544a7b-bf0e-43db-b1ec-ba12d7a66d1c,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(C)C1CCC2(CC1)OCC(CCl)O2,https://pubchem.ncbi.nlm.nih.gov/compound/14326294,PubChem,CC(C)(C)C1CCC2(CC1)OCC(CCl)O2,Test
"ChemSkin:
Benzyl salicylate",,118-58-1,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=C(OCc1ccccc1)c1ccccc1O,https://pubchem.ncbi.nlm.nih.gov/compound/8363,PubChem,O=C(OCc1ccccc1)c1ccccc1O,Test
"EU_CLP:
transfluthrin (ISO); 2,3,5,6-tetrafluorobenzyl trans-2-(2,2-dichlorovinyl)-3,3-dimethylcyclopropanecarboxylate",,118712-89-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1c(F)c(F)cc(F)c1F,https://pubchem.ncbi.nlm.nih.gov/compound/656612,PubChem,CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1c(F)c(F)cc(F)c1F,Test
"ChemSkin:
4,4′-Methylenebis(2,6-di-tert-butylphenol)",,118-82-1,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,https://pubchem.ncbi.nlm.nih.gov/compound/8372,PubChem,CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O,Test
"EU_REACH:
(1S,2S,4R,6S,8S,11R,12S,14S,15R,16S)-2,16-dimethyl-14-(pyrrolidin-1-yl)-5-oxapentacyclo[9.7.0.0²,⁸.0⁴,⁶.0¹²,¹⁶]octadecan-15-ol",,119302-19-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7297/7/4/2/?documentUUID=b8bce7e8-1efd-4a37-9adf-60ea68834fe5,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](N3CCCC3)C[C@@H]12,https://pubchem.ncbi.nlm.nih.gov/compound/16063872,PubChem,C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](N3CCCC3)C[C@@H]12,Test
"EU_REACH:
Androstan-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, 17-acetate (2α,3α,5α,16α,17β)-",,119302-24-8,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7706/7/4/2/?documentUUID=885293ad-c1ee-4e43-84d9-69ac9eda760f,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(=O)O[C@H]1[C@@H](N2CCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCOCC5)C[C@]4(C)[C@H]3CC[C@@]21C,https://pubchem.ncbi.nlm.nih.gov/compound/16064933,PubChem,CC(=O)O[C@H]1[C@@H](N2CCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCOCC5)C[C@]4(C)[C@H]3CC[C@@]21C,Test
"EU_CLP:
1,2,4-trichlorobenzene",,120-82-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Clc1ccc(Cl)c(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/13,PubChem,Clc1ccc(Cl)c(Cl)c1,Test
"EU_CLP:
cyclopentanone",,120-92-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C1CCCC1,https://pubchem.ncbi.nlm.nih.gov/compound/8452,PubChem,O=C1CCCC1,Test
"EU_CLP:
sulphanilic acid; 4-aminobenzenesulphonic acid",,121-57-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Nc1ccc(S(=O)(=O)O)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/8479,PubChem,Nc1ccc(S(=O)(=O)O)cc1,Test
"EU_CLP:
1-allyl-3-chloro-4-fluorobenzene",,121626-73-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CCc1ccc(F)c(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/2757597,PubChem,C=CCc1ccc(F)c(Cl)c1,Test
"ChemSkin:
1-Chloro-3-nitrobenzene (3-chloronitrobenzene)",,121-73-3,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=[N+]([O-])c1cccc(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/8489,PubChem,O=[N+]([O-])c1cccc(Cl)c1,Test
"EU_CLP:
4-methyl-8-methylenetricyclo[3.3.1.13,7]decan-2-ol",,122760-84-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=C1C2CC3CC1C(O)C(C2)C3C,https://pubchem.ncbi.nlm.nih.gov/compound/180122,PubChem,C=C1C2CC3CC1C(O)C(C2)C3C,Test
"EU_CLP:
4-methyl-8-methylenetricyclo[3.3.1.13,7]dec-2-yl acetate",,122760-85-4,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=C1C2CC3CC1C(OC(C)=O)C(C2)C3C,https://pubchem.ncbi.nlm.nih.gov/compound/19830424,PubChem,C=C1C2CC3CC1C(OC(C)=O)C(C2)C3C,Test
"EU_REACH:
1-(4-chlorophenyl)-2-cyclopropylpropan-1-ol",,123989-28-6,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19446/7/4/2/?documentUUID=9fe4d492-314a-4b3c-b563-52fa4a24e2ed,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C1CC1)C(O)c1ccc(Cl)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/19078385,PubChem,CC(C1CC1)C(O)c1ccc(Cl)cc1,Test
"EU_CLP:
4-(3,4-dichlorophenylazo)-2,6-di-sec-butyl-phenol",,124719-26-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCC(C)c1cc(N=Nc2ccc(Cl)c(Cl)c2)cc(C(C)CC)c1O,https://pubchem.ncbi.nlm.nih.gov/compound/136029256,PubChem,CCC(C)c1cc(N=Nc2ccc(Cl)c(Cl)c2)cc(C(C)CC)c1O,Test
"EU_CLP:
18-methylnonadecyl 2,2-dimethylpropanoate",,125496-22-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/178374,PubChem,CC(C)CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)C,Test
"EU_REACH:
2,4,7,9-tetramethyldec-5-yne-4,7-diol",,126-86-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14379/7/4/2/?documentUUID=8469e4bb-f4da-4b6d-b017-2ec48c67afec,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)CC(C)(O)C#CC(C)(O)CC(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/31362,PubChem,CC(C)CC(C)(O)C#CC(C)(O)CC(C)C,Test
"EU_CLP:
2-isopropyl-2-(1-methylbutyl)-1,3-dimethoxypropane",,129228-11-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,COCC(CCC(C)C)(COC)C(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/10867702,PubChem,COCC(CCC(C)C)(COC)C(C)C,Test
"EU_CLP:
2-isobutyl-2-isopropyl-1,3-dimethoxypropane",,129228-21-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,COCC(COC)(CC(C)C)C(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/11138158,PubChem,COCC(COC)(CC(C)C)C(C)C,Test
"EU_CLP:
2,4-di-tert-butylcyclohexanone",,13019-04-0,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)(C)C1CCC(=O)C(C(C)(C)C)C1,https://pubchem.ncbi.nlm.nih.gov/compound/114442,PubChem,CC(C)(C)C1CCC(=O)C(C(C)(C)C)C1,Test
"EU_CLP:
penthachloronaphthalene",,1321-64-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Clc1cc(Cl)c2c(Cl)cc(Cl)c(Cl)c2c1,https://pubchem.ncbi.nlm.nih.gov/compound/114760,PubChem,Clc1cc(Cl)c2c(Cl)cc(Cl)c(Cl)c2c1,Test
"EU_REACH:
[[4-[[4-(anilino)phenyl][4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenesulphonic acid",,1324-76-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5364/7/4/2/?documentUUID=4bf44719-5090-4d63-a5f5-9ad1bcb13f63,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,O=S(=O)(O)c1ccccc1N=C1C=CC(=C(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3ccccc3)cc2)C=C1,https://cactus.nci.nih.gov/chemical/structure/1324-76-1/smiles,CACTUS,O=S(=O)(O)c1ccccc1N=C1C=CC(=C(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3ccccc3)cc2)C=C1,Test
"EU_CLP:
acibenzolar-S-methyl; benzo[1,2,3]thiadiazole-7-carbothioic acid S-methyl ester",,135158-54-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CSC(=O)c1cccc2nnsc12,https://pubchem.ncbi.nlm.nih.gov/compound/86412,PubChem,CSC(=O)c1cccc2nnsc12,Test
"EU_CLP:
fluquinconazole (ISO); 3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4-(3H)-one",,136426-54-5,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=c1c2cc(F)ccc2nc(-n2cncn2)n1-c1ccc(Cl)cc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/86417,PubChem,O=c1c2cc(F)ccc2nc(-n2cncn2)n1-c1ccc(Cl)cc1Cl,Test
"EU_CLP:
2-chloro-5-sec-hexadecylhydroquinone",,137193-60-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCCCCCCCCCCCCC(C)c1cc(O)c(Cl)cc1O,https://pubchem.ncbi.nlm.nih.gov/compound/15034894,PubChem,CCCCCCCCCCCCCCC(C)c1cc(O)c(Cl)cc1O,Test
"EU_CLP:
thiram (ISO); tetramethylthiuram disulphide",,137-26-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CN(C)C(=S)SSC(=S)N(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/5455,PubChem,CN(C)C(=S)SSC(=S)N(C)C,Test
"EU_REACH:
(7-methoxynaphthalen-1-yl)acetonitrile",,138113-08-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1437/7/4/2/?documentUUID=2e1fa2e0-e22a-4efa-81ad-c6493aa4c9cf,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COc1ccc2cccc(CC#N)c2c1,https://pubchem.ncbi.nlm.nih.gov/compound/11264068,PubChem,COc1ccc2cccc(CC#N)c2c1,Test
"EU_CLP:
butroxydim (ISO); 5-(3-butyryl-2,4,6-trimethylphenyl)-2-[1-(ethoxyimino)propyl]-3-hydroxycyclohex-2-en-1-one",,138164-12-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCC(=O)c1c(C)cc(C)c(C2CC(=O)C(/C(CC)=N\OCC)=C(O)C2)c1C,https://pubchem.ncbi.nlm.nih.gov/compound/135797834,PubChem,CCCC(=O)c1c(C)cc(C)c(C2CC(=O)C(/C(CC)=N\OCC)=C(O)C2)c1C,Test
"EU_REACH:
9-[(3,3',5,5'-tetra-tert-butyl-2'-{8,10-dioxa-9-phosphatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-yloxy}-[1,1'-biphenyl]-2-yl)oxy]-8,10-dioxa-9-phosphatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2,4,6,12,14-hexaene",,138776-88-2,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17031/7/4/2/?documentUUID=c82a15b6-5fd9-4d8c-85f3-4b78ea53b406,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3ccccc3c3ccccc3o2)c(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1,https://pubchem.ncbi.nlm.nih.gov/compound/10963933,PubChem,CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2Op2oc3ccccc3c3ccccc3o2)c(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1,Test
"EU_REACH:
1-[(2-tert-butylcyclohexyl)oxy]butan-2-ol",,139504-68-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11273/7/4/2/?documentUUID=182cf78a-9f8e-4399-b008-477a2b01fda6,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCC(O)COC1CCCCC1C(C)(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/164422,PubChem,CCC(O)COC1CCCCC1C(C)(C)C,Test
"EU_REACH:
1,6-bis(2-butoxyethyl) hexanedioate",,141-18-4,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10353/7/4/2/?documentUUID=abb3b5ac-b8f9-4116-a3dd-cdc593505330,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC,https://pubchem.ncbi.nlm.nih.gov/compound/8837,PubChem,CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC,Test
"EU_CLP:
(2-butyl-5-nitrobenzofuran-3-yl)[4-(3-dibutylaminopropoxy)phenyl]methanone",,141645-23-0,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/10209258,PubChem,CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1,Test
"EU_REACH:
N-(1-oxooctyl)glycine",,14246-53-8,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11322/7/4/2/?documentUUID=d6fae830-5174-4b16-9cdd-c04ccf1cc63d,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCCCCC(=O)NCC(=O)O,https://pubchem.ncbi.nlm.nih.gov/compound/84290,PubChem,CCCCCCCC(=O)NCC(=O)O,Test
"EU_CLP:
(2,3-dimethylbut-2-yl)-trimethoxysilane",,142877-45-0,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CO[Si](OC)(OC)C(C)(C)C(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/22035356,PubChem,CO[Si](OC)(OC)C(C)(C)C(C)C,Test
"EU_REACH:
(2R,3S,4S)-2,3,4-tris(benzyloxy)-4-[(4R)-4-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylpiperazin-1-yl)butan-1-one",,1431329-07-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11399/7/4/2/?documentUUID=b40aa173-c193-4d70-87e4-f3de70865226,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CN1CCN(C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@]2(COCc3ccccc3)COC(C)(C)O2)CC1,https://pubchem.ncbi.nlm.nih.gov/compound/126582620,PubChem,CN1CCN(C(=O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@]2(COCc3ccccc3)COC(C)(C)O2)CC1,Test
"EU_CLP:
ethyl 2-carboxy-3-(2-thienyl)propionate",,143468-96-6,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCOC(=O)C(Cc1cccs1)C(=O)O,https://pubchem.ncbi.nlm.nih.gov/compound/14952883,PubChem,CCOC(=O)C(Cc1cccs1)C(=O)O,Test
"EU_CLP:
1,3-dichloro-4-fluorobenzene",,1435-48-9,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Fc1ccc(Cl)cc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/123112,PubChem,Fc1ccc(Cl)cc1Cl,Test
"EU_CLP:
9-vinylcarbazole",,1484-13-5,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=Cn1c2ccccc2c2ccccc21,https://pubchem.ncbi.nlm.nih.gov/compound/15143,PubChem,C=Cn1c2ccccc2c2ccccc21,Test
"EU_CLP:
disul (ISO); 2-(2,4-dichlorophenoxy)ethyl hydrogensulphate; 2,4-DES",,149-26-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=S(=O)(O)OCCOc1ccc(Cl)cc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/8701,PubChem,O=S(=O)(O)OCCOc1ccc(Cl)cc1Cl,Test
"EU_REACH:
13-DOCOSENAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-, (13Z)-",,149968-48-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12095/7/4/2/?documentUUID=5ed07350-0026-46f1-818e-50b4f2c93d24,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCN(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/87989022,PubChem,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCN(C)C,Test
"EU_CLP:
E-ethyl-4-oxo-4-phenylcrotonate",,15121-89-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCOC(=O)/C=C/C(=O)c1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/5369605,PubChem,CCOC(=O)/C=C/C(=O)c1ccccc1,Test
"EU_CLP:
morpholine-4-carbonyl chloride",,15159-40-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C(Cl)N1CCOCC1,https://pubchem.ncbi.nlm.nih.gov/compound/84810,PubChem,O=C(Cl)N1CCOCC1,Test
"EU_CLP:
2-isopropyl-4-(N-methyl)aminomethylthiazole",,154212-60-9,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CNCc1csc(C(C)C)n1,https://pubchem.ncbi.nlm.nih.gov/compound/10749687,PubChem,CNCc1csc(C(C)C)n1,Test
"EU_REACH:
methyl 2-(4-bromophenyl)-2-methylpropanoate",,154825-97-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17257/7/4/2/?documentUUID=c6648981-16fc-4278-9771-2ad5e9b18bc3,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COC(=O)C(C)(C)c1ccc(Br)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/3651431,PubChem,COC(=O)C(C)(C)c1ccc(Br)cc1,Test
"EU_REACH:
(4E,9E)-7-ethenyl-2,4,10,12-tetramethyl-7-{[(E)-(4-methylpentan-2-ylidene)amino]oxy}-6,8-dioxa-5,9-diaza-7-silatrideca-4,9-diene; (4Z,9E)-7-ethenyl-2,4,10,12-tetramethyl-7-{[(E)-(4-methylpentan-2-ylidene)amino]oxy}-6,8-dioxa-5,9-diaza-7-silatrideca-4,9-diene; (4Z,9Z)-7-ethenyl-2,4,10,12-tetramethyl-7-{[(E)-(4-methylpentan-2-ylidene)amino]oxy}-6,8-dioxa-5,9-diaza-7-silatrideca-4,9-diene; (4Z,9Z)-7-ethenyl-2,4,10,12-tetramethyl-7-{[(Z)-(4-methylpentan-2-ylidene)amino]oxy}-6,8-dioxa-5,9-diaza-7-silatrideca-4,9-diene",,156145-64-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/16578/7/4/2/?documentUUID=29de4d5f-3585-4aa3-89e0-44decacc3e32,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=C[Si](O/N=C(\C)CC(C)C)(O/N=C(\C)CC(C)C)O/N=C(\C)CC(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/15219159,PubChem,C=C[Si](O/N=C(\C)CC(C)C)(O/N=C(\C)CC(C)C)O/N=C(\C)CC(C)C,Test
"EU_CLP:
2-ethyl-2-[[(1-oxoallyl)oxy] methyl]-1,3-propanediyl diacrylate; 2,2-bis(acryloyloxymethyl)butyl acrylate; trimethylolpropane triacrylate",,15625-89-5,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C,https://pubchem.ncbi.nlm.nih.gov/compound/27423,PubChem,C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C,Test
"EU_CLP:
2-methyl-4-(1,1-dimethylethyl)-6-(1-methyl-pentadecyl)-phenol",,157661-93-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCCCCCCCCCCCCC(C)c1cc(C(C)(C)C)cc(C)c1O,https://pubchem.ncbi.nlm.nih.gov/compound/18961322,PubChem,CCCCCCCCCCCCCCC(C)c1cc(C(C)(C)C)cc(C)c1O,Test
"EU_CLP:
methyl 2-benzylidene-3-oxobutyrate",,15768-07-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,COC(=O)/C(=C/c1ccccc1)C(C)=O,https://pubchem.ncbi.nlm.nih.gov/compound/641409,PubChem,COC(=O)/C(=C/c1ccccc1)C(C)=O,Test
"EU_CLP:
2-methoxypropanol",,1589-47-5,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,COC(C)CO,https://pubchem.ncbi.nlm.nih.gov/compound/14846,PubChem,COC(C)CO,Test
"EU_REACH:
(1S,2S,4R,6S,8S,11R,12S,14S,16S)-2,16-dimethyl-14-(pyrrolidin-1-yl)-5-oxapentacyclo[9.7.0.0²,⁸.0⁴,⁶.0¹²,¹⁶]octadecan-15-one",,159325-45-8,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7280/7/4/2/?documentUUID=8beba8d8-85bf-4c36-8e04-582ea6c9baa7,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](N3CCCC3)C[C@@H]12,https://pubchem.ncbi.nlm.nih.gov/compound/16063837,PubChem,C[C@]12C[C@H]3O[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](N3CCCC3)C[C@@H]12,Test
"EU_REACH:
diethyl phenylphosphonite",,1638-86-4,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12512/7/4/2/?documentUUID=09cb9384-150d-4ed0-92e9-a3443d0db3ab,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCOP(OCC)c1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/74225,PubChem,CCOP(OCC)c1ccccc1,Test
"EU_CLP:
bis-[4-(2,3-epoxipropoxi)phenyl]propane",,1675-54-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/2286,PubChem,CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1,Test
"EU_CLP:
m-mentha-1,3(8)-diene",,17092-80-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC1=CC(=C(C)C)CCC1,https://pubchem.ncbi.nlm.nih.gov/compound/524200,PubChem,CC1=CC(=C(C)C)CCC1,Test
"EU_REACH:
1,3-dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate",,172529-93-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6816/7/4/2/?documentUUID=f546f617-7201-4855-b3c7-600f7f4b724b,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COC(=O)C(CCn1cnc2c(Cl)nc(N)nc21)C(=O)OC,https://pubchem.ncbi.nlm.nih.gov/compound/9949313,PubChem,COC(=O)C(CCn1cnc2c(Cl)nc(N)nc21)C(=O)OC,Test
"EU_REACH:
prop-2-en-1-yl 2-(2-chloro-5-nitrobenzoyloxy)-2-methylpropanoate",,174489-76-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6005/7/4/2/?documentUUID=7e8d8941-f84f-424f-a6af-069713732699,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=CCOC(=O)C(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/11782392,PubChem,C=CCOC(=O)C(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1Cl,Test
"EU_REACH:
2-hydroxy-4-(methylsulfanyl)butanenitrile",,17773-41-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10238/7/4/2/?documentUUID=214ac58e-4e8a-4cf5-ad08-a9d2d1560dbe,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CSCCC(O)C#N,https://pubchem.ncbi.nlm.nih.gov/compound/87302,PubChem,CSCCC(O)C#N,Test
"EU_REACH:
(2,4-dichlorophenyl)methanol",,1777-82-8,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/23988/7/4/2/?documentUUID=e7b4ba2b-332d-4986-ad52-6c3afd4e88a9,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,OCc1ccc(Cl)cc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/15684,PubChem,OCc1ccc(Cl)cc1Cl,Test
"EU_CLP:
3-chloro-2-(isopropylthio)aniline",,179104-32-6,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)Sc1c(N)cccc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/2735747,PubChem,CC(C)Sc1c(N)cccc1Cl,Test
"EU_CLP:
triethoxyisobutylsilane",,17980-47-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCO[Si](CC(C)C)(OCC)OCC,https://pubchem.ncbi.nlm.nih.gov/compound/87391,PubChem,CCO[Si](CC(C)C)(OCC)OCC,Test
"EU_CLP:
bis(1-methylethyl)-dimethoxysilane",,18230-61-0,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CO[Si](OC)(C(C)C)C(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/87520,PubChem,CO[Si](OC)(C(C)C)C(C)C,Test
"EU_CLP:
2-chloro-5-methyl-pyridine",,18368-64-4,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Cc1ccc(Cl)nc1,https://pubchem.ncbi.nlm.nih.gov/compound/581393,PubChem,Cc1ccc(Cl)nc1,Test
"EU_REACH:
3,7-dimethyloct-6-en-3-ol",,18479-51-1,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20289/7/4/2/?documentUUID=636dac19-1abc-4196-bd6c-1ed74f485f48,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCC(C)(O)CCC=C(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/86749,PubChem,CCC(C)(O)CCC=C(C)C,Test
"EU_REACH:
hex-3-en-1-yl cyclopropanecarboxylate",,188570-78-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/9542/7/4/2/?documentUUID=dec687cc-0187-4e71-ba19-77e80f25cff9,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC/C=C\CCOC(=O)C1CC1,https://pubchem.ncbi.nlm.nih.gov/compound/44152604,PubChem,CC/C=C\CCOC(=O)C1CC1,Test
"EU_CLP:
2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidinedione; methazole",,20354-26-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O,https://pubchem.ncbi.nlm.nih.gov/compound/4690,PubChem,Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O,Test
"EU_REACH:
prop-2-en-1-yl 2-(2-chloro-5-isocyanatobenzoyloxy)-2-methylpropanoate",,204918-22-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/8166/7/4/2/?documentUUID=1dc69cbc-5fb5-4ed7-b653-f61127343230,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=CCOC(=O)C(C)(C)OC(=O)c1cc(N=C=O)ccc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/10936216,PubChem,C=CCOC(=O)C(C)(C)OC(=O)c1cc(N=C=O)ccc1Cl,Test
"EU_REACH:
N,N-bis[(oxiran-2-yl)methyl]aniline",,2095-06-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26718/7/4/2/?documentUUID=9579e671-848f-4614-9ed1-1bf4ac575439,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,c1ccc(N(CC2CO2)CC2CO2)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/16412,PubChem,c1ccc(N(CC2CO2)CC2CO2)cc1,Test
"ChemSkin:
Capryl-isostearate",,209802-43-7,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCCCCC(C)OC(=O)CCCCCCCCCCCCCCC(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/86200975,PubChem,CCCCCCC(C)OC(=O)CCCCCCCCCCCCCCC(C)C,Test
"EU_REACH:
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate",,2144-53-8,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14308/7/4/2/?documentUUID=7de41c5c-9f3a-4ddc-9fc8-1f3261ed91b3,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,https://pubchem.ncbi.nlm.nih.gov/compound/75066,PubChem,C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,Test
"EU_REACH:
1,1,1,3,3-pentachlorobutane",,21981-33-9,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10191/7/4/2/?documentUUID=1c7dc680-2a62-4bb6-a3db-f32e583d50d3,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(Cl)(Cl)CC(Cl)(Cl)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/89123,PubChem,CC(Cl)(Cl)CC(Cl)(Cl)Cl,Test
"EU_CLP:
5-endo-hexyl-bicyclo[2.2.1]hept-2-ene",,22094-83-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCCCCC1CC2C=CC1C2,https://pubchem.ncbi.nlm.nih.gov/compound/21584940,PubChem,CCCCCCC1CC2C=CC1C2,Test
"EU_CLP:
1,1,3,3-tetramethylbutylperoxypivalate",,22288-41-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)(C)CC(C)(C)OOC(=O)C(C)(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/53446567,PubChem,CC(C)(C)CC(C)(C)OOC(=O)C(C)(C)C,Test
"EU_CLP:
benzyl 2,4-dibromobutanoate",,23085-60-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C(OCc1ccccc1)C(Br)CCBr,https://pubchem.ncbi.nlm.nih.gov/compound/4338264,PubChem,O=C(OCc1ccccc1)C(Br)CCBr,Test
"EU_CLP:
2,6-dichloro-4-trifluoromethylaniline",,24279-39-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Nc1c(Cl)cc(C(F)(F)F)cc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/141094,PubChem,Nc1c(Cl)cc(C(F)(F)F)cc1Cl,Test
"EU_CLP:
tridemorph (ISO); 2,6-dimethyl-4-tridecylmorpholine",,24602-86-6,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCCCCCCCCCCCN1CC(C)OC(C)C1,https://pubchem.ncbi.nlm.nih.gov/compound/32518,PubChem,CCCCCCCCCCCCCN1CC(C)OC(C)C1,Test
"EU_REACH:
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid",,24701-69-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/2446/7/4/2/?documentUUID=5d5d9d52-5e8a-4d05-b9bf-1d3b540b9e51,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1,https://pubchem.ncbi.nlm.nih.gov/compound/9816277,PubChem,COCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1,Test
"EU_CLP:
hexyl acrylate",,2499-95-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CC(=O)OCCCCCC,https://pubchem.ncbi.nlm.nih.gov/compound/17259,PubChem,C=CC(=O)OCCCCCC,Test
"EU_CLP:
ethylene bis(trichloroacetate)",,2514-53-6,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C(OCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/17284,PubChem,O=C(OCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,Test
"ChemSkin:
Dipropylene glycol",,25265-71-8,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCC(O)OC(O)CC,https://cactus.nci.nih.gov/chemical/structure/25265-71-8/smiles,CACTUS,CCC(O)OC(O)CC,Test
"ChemSkin:
Cyclohexadecanone",,2550-52-9,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=C1CCCCCCCCCCCCCCC1,https://pubchem.ncbi.nlm.nih.gov/compound/75695,PubChem,O=C1CCCCCCCCCCCCCCC1,Test
"EU_CLP:
2-methyl-5-phenylpentanol",,25634-93-9,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(CO)CCCc1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/5463791,PubChem,CC(CO)CCCc1ccccc1,Test
"EU_REACH:
1-(butoxymethoxy)butane",,2568-90-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11620/7/4/2/?documentUUID=30f29525-342f-49f6-b96d-3a7793580a3d,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCOCOCCCC,https://pubchem.ncbi.nlm.nih.gov/compound/17379,PubChem,CCCCOCOCCCC,Test
"ChemSkin:
2-Ethylhexyl-4-aminobenzoate",,26218-04-2,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCCC(CC)COC(=O)c1ccc(N)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/11436614,PubChem,CCCCC(CC)COC(=O)c1ccc(N)cc1,Test
"EU_CLP:
styrene-4-sulfonyl chloride",,2633-67-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=Cc1ccc(S(=O)(=O)Cl)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/9855777,PubChem,C=Cc1ccc(S(=O)(=O)Cl)cc1,Test
"EU_REACH:
1,3-dihydroxypropan-2-yl octanoate; 2,3-dihydroxypropyl octanoate",,26402-26-6,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17696/7/4/2/?documentUUID=4f689890-ff0b-4d7e-82c9-ecd3f4425f29,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCCCCC(=O)OCC(O)CO,https://pubchem.ncbi.nlm.nih.gov/compound/3033877,PubChem,CCCCCCCC(=O)OCC(O)CO,Test
"EU_CLP:
9-(2-propenyloxy)tricyclo[5.2.1.0(2,6)]dec-3(or-4-)-ene",,26912-64-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CCOC1CC2CC1C1C=CCC21,https://pubchem.ncbi.nlm.nih.gov/compound/102779,PubChem,C=CCOC1CC2CC1C1C=CCC21,Test
"EU_REACH:
2-methylheptadecan-1-ol",,27458-93-1,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5497/7/4/2/?documentUUID=73283029-57dd-4bd4-a073-4f932936a0f9,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)CCCCCCCCCCCCCCCO,https://pubchem.ncbi.nlm.nih.gov/compound/62825,PubChem,CC(C)CCCCCCCCCCCCCCCO,Test
"EU_CLP:
dodecyldiphenyl phosphate",,27460-02-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/117982,PubChem,CCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1,Test
"EU_REACH:
1-(3-Chloro-4-hydroxyphenyl)ethanone",,2892-29-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17987/7/4/2/?documentUUID=3afdc14c-4f21-427b-a104-5a7b59735234,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(=O)c1ccc(O)c(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/1051514,PubChem,CC(=O)c1ccc(O)c(Cl)c1,Test
"EU_REACH:
2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene",,29091-09-6,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12251/7/4/2/?documentUUID=7bbc6ef0-1cce-44cb-b0b9-480739d9b09c,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/94398,PubChem,O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Cl,Test
"EU_REACH:
1,4-bis[(2-ethylhexyl)amino]-5,8-dihydroxy-9,10-dihydroanthracene-9,10-dione",,295800-70-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/29374/7/4/2/?documentUUID=97077ee6-b7fc-4b8e-8557-b160b8eb7744,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCC(CC)CNc1ccc(NCC(CC)CCCC)c2c1C(=O)c1c(O)ccc(O)c1C2=O,https://pubchem.ncbi.nlm.nih.gov/compound/23062166,PubChem,CCCCC(CC)CNc1ccc(NCC(CC)CCCC)c2c1C(=O)c1c(O)ccc(O)c1C2=O,Test
"EU_CLP:
chloral hydrate; 2,2,2-trichloroethane-1,1-diol",,302-17-0,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,OC(O)C(Cl)(Cl)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/2707,PubChem,OC(O)C(Cl)(Cl)Cl,Test
"EU_REACH:
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide",,302964-08-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20338/7/4/2/?documentUUID=c263e08a-037e-48e5-b3ef-b166a36fb205,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,Cc1nc(Cl)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1,https://pubchem.ncbi.nlm.nih.gov/compound/11269410,PubChem,Cc1nc(Cl)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1,Test
"EU_CLP:
cyclohexyl acrylate",,3066-71-5,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CC(=O)OC1CCCCC1,https://pubchem.ncbi.nlm.nih.gov/compound/18298,PubChem,C=CC(=O)OC1CCCCC1,Test
"EU_REACH:
2-{[2,6-dibromo-4-(2-{3,5-dibromo-4-[(oxiran-2-yl)methoxy]phenyl}propan-2-yl)phenoxy]methyl}oxirane",,3072-84-2,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19397/7/4/2/?documentUUID=32ea6293-18c8-4530-b73c-780546b19bc1,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(c1cc(Br)c(OCC2CO2)c(Br)c1)c1cc(Br)c(OCC2CO2)c(Br)c1,https://pubchem.ncbi.nlm.nih.gov/compound/62250,PubChem,CC(C)(c1cc(Br)c(OCC2CO2)c(Br)c1)c1cc(Br)c(OCC2CO2)c(Br)c1,Test
"EU_CLP:
9,9-bis(4-hydroxyphenyl)fluorene",,3236-71-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/76716,PubChem,Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1,Test
"EU_CLP:
triclosan; 2,4,4'-trichloro-2'-hydroxy-diphenyl-ether; 5-chloro-2-(2,4-dichlorophenoxy)phenol",,3380-34-5,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/5564,PubChem,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,Test
"EU_CLP:
3,3,4,4-tetrafluoro-4-iodo-1-butene",,33831-83-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CC(F)(F)C(F)(F)I,https://pubchem.ncbi.nlm.nih.gov/compound/118555,PubChem,C=CC(F)(F)C(F)(F)I,Test
"EU_REACH:
1-chlorooctadecane",,3386-33-2,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1479/7/4/2/?documentUUID=a6f38592-620c-4740-ac44-7bef5c69b991,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCCCCCCCCCCCCCCCCl,https://pubchem.ncbi.nlm.nih.gov/compound/18815,PubChem,CCCCCCCCCCCCCCCCCCCl,Test
"ChemSkin:
4-Methylthio-benzaldehyde #",,3446-89-7,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CSc1ccc(C=O)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/76985,PubChem,CSc1ccc(C=O)cc1,Test
"EU_REACH:
1-butylpyrrolidin-2-one",,3470-98-2,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10579/7/4/2/?documentUUID=32866bf0-c291-4561-a4de-2e6444461078,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCN1CCCC1=O,https://pubchem.ncbi.nlm.nih.gov/compound/18984,PubChem,CCCCN1CCCC1=O,Test
"ChemSkin:
3-Chloro-4-fluoronitrobenzene",,350-30-1,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=[N+]([O-])c1ccc(F)c(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/67688,PubChem,O=[N+]([O-])c1ccc(F)c(Cl)c1,Test
"EU_REACH:
methyl 3,6-dichloro-4-acetamidopyridine-2-carboxylate",,350601-49-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12238/7/4/2/?documentUUID=1beab499-6cdf-46e5-88b3-746c32b11eb6,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COC(=O)c1nc(Cl)cc(NC(C)=O)c1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/22677481,PubChem,COC(=O)c1nc(Cl)cc(NC(C)=O)c1Cl,Test
"EU_REACH:
2-ISOPROPYL-1,3-DIOXANE-5,5-DICARBOXYLIC ACID DIETHYL ESTER",,35113-48-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5703/7/4/2/?documentUUID=d929f706-4bd3-4333-881c-e7d85a5d926b,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCOC(=O)C1(C(=O)OCC)COC(C(C)C)OC1,https://pubchem.ncbi.nlm.nih.gov/compound/12502784,PubChem,CCOC(=O)C1(C(=O)OCC)COC(C(C)C)OC1,Test
"EU_CLP:
(E)-3,7-dimethyl-2,6-octadienylhexadecanoate",,3681-73-0,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)CCC=C(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/11246350,PubChem,CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)CCC=C(C)C,Test
"EU_REACH:
1-(2-ethylbutyl)cyclohexane-1-carboxylic acid",,381209-09-2,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/22242/7/4/2/?documentUUID=67da2f1a-8633-4c56-b78f-fc0878427c79,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCC(CC)CC1(C(=O)O)CCCCC1,https://pubchem.ncbi.nlm.nih.gov/compound/10488751,PubChem,CCC(CC)CC1(C(=O)O)CCCCC1,Test
"EU_CLP:
benazolin (ISO); 4-chloro-2,3-dihydro-2-oxo-1,3-benzothiazol-3-ylacetic acid",,3813-05-6,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C(O)Cn1c(=O)sc2cccc(Cl)c21,https://pubchem.ncbi.nlm.nih.gov/compound/19662,PubChem,O=C(O)Cn1c(=O)sc2cccc(Cl)c21,Test
"EU_CLP:
2,3,4-trifluoroaniline",,3862-73-5,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Nc1ccc(F)c(F)c1F,https://pubchem.ncbi.nlm.nih.gov/compound/77468,PubChem,Nc1ccc(F)c(F)c1F,Test
"EU_REACH:
3-[(2,2-Dimethyl-1,2-azasilolidin-1-yl)(dimethyl)silyl]-1-propanamine",,388606-32-4,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/4257/7/4/2/?documentUUID=da260297-58f0-4939-8a4e-7dab7d6686b2,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C[Si](C)(CCCN)N1CCC[Si]1(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/11817097,PubChem,C[Si](C)(CCCN)N1CCC[Si]1(C)C,Test
"EU_REACH:
Ethanone, 2-​chloro-​1-​(3-​chloro-​4-​hydroxyphenyl)​-",,39066-18-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17995/7/4/2/?documentUUID=ceaec4d9-48ba-4ce8-a2a5-dbeb5c3659fd,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,O=C(CCl)c1ccc(O)c(Cl)c1,https://pubchem.ncbi.nlm.nih.gov/compound/23191752,PubChem,O=C(CCl)c1ccc(O)c(Cl)c1,Test
"EU_CLP:
3,7-dimethyloctanenitrile",,40188-41-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)CCCC(C)CC#N,https://pubchem.ncbi.nlm.nih.gov/compound/170284,PubChem,CC(C)CCCC(C)CC#N,Test
"EU_CLP:
2-ethyl-N-methyl-N-(3-methylphenyl)butanamide",,406488-30-0,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCC(CC)C(=O)N(C)c1cccc(C)c1,https://pubchem.ncbi.nlm.nih.gov/compound/57495095,PubChem,CCC(CC)C(=O)N(C)c1cccc(C)c1,Test
"EU_CLP:
4-propylcyclohexanone",,40649-36-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCCC1CCC(=O)CC1,https://pubchem.ncbi.nlm.nih.gov/compound/142482,PubChem,CCCC1CCC(=O)CC1,Test
"EU_CLP:
2,2'-oxydiethyl diacrylate; diethylene glycol diacrylate",,4074-88-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CC(=O)OCCOCCOC(=O)C=C,https://pubchem.ncbi.nlm.nih.gov/compound/19996,PubChem,C=CC(=O)OCCOCCOC(=O)C=C,Test
"EU_CLP:
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate; isophorone di-isocyanate",,4098-71-9,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1,https://pubchem.ncbi.nlm.nih.gov/compound/169132,PubChem,CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1,Test
"EU_REACH:
2-(7-ethyl-1H-indol-3-yl)ethan-1-ol",,41340-36-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/22803/7/4/2/?documentUUID=b9355038-11e9-48ee-92b0-12615a0760c1,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCc1cccc2c(CCO)c[nH]c12,https://pubchem.ncbi.nlm.nih.gov/compound/198231,PubChem,CCc1cccc2c(CCO)c[nH]c12,Test
"EU_REACH:
diethyl pyridine-2,4-dicarboxylate",,41438-38-4,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18795/7/4/2/?documentUUID=aeabbe4e-be2a-4a36-b770-fbb08e206fc0,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCOC(=O)c1ccnc(C(=O)OCC)c1,https://pubchem.ncbi.nlm.nih.gov/compound/170509,PubChem,CCOC(=O)c1ccnc(C(=O)OCC)c1,Test
"ChemSkin:
4-Acetoxy-2,5-dimethyl-3(2H)-furanone (2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-yl acetate)",,4166-20-5,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CC(=O)OC1=C(C)OC(C)C1=O,https://pubchem.ncbi.nlm.nih.gov/compound/61334,PubChem,CC(=O)OC1=C(C)OC(C)C1=O,Test
"EU_CLP:
1-(chlorophenylmethyl)-2-methylbenzene",,41870-52-4,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Cc1ccccc1C(Cl)c1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/10798787,PubChem,Cc1ccccc1C(Cl)c1ccccc1,Test
"EU_CLP:
cyclohexadeca-1,9-diene",,4277-06-9,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C1=C\CCCCCC/C=C\CCCCCC/1,https://pubchem.ncbi.nlm.nih.gov/compound/44148196,PubChem,C1=C\CCCCCC/C=C\CCCCCC/1,Test
"ChemSkin:
2-(Formylamino)-3-thiophenecarboxylic acid",,43028-69-9,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=CNc1sccc1C(=O)O,https://pubchem.ncbi.nlm.nih.gov/compound/3557280,PubChem,O=CNc1sccc1C(=O)O,Test
"ChemSkin:
Tetrabromophenol blue",,4430-25-5,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2c(Br)c(Br)c(Br)c(Br)c21,https://pubchem.ncbi.nlm.nih.gov/compound/78159,PubChem,O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2c(Br)c(Br)c(Br)c(Br)c21,Test
"EU_REACH:
(R)-2,2,3-trimethylcyclopent-3-ene-1-acetaldehyde",,4501-58-0,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5954/7/4/2/?documentUUID=fc440949-4e98-435d-a4f7-5ec8a1cdba27,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC1=CC[C@H](CC=O)C1(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/1252759,PubChem,CC1=CC[C@H](CC=O)C1(C)C,Test
"EU_CLP:
1-bromo-3,5-difluorobenzene",,461-96-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Fc1cc(F)cc(Br)c1,https://pubchem.ncbi.nlm.nih.gov/compound/136313,PubChem,Fc1cc(F)cc(Br)c1,Test
"EU_REACH:
carbonohydrazide",,497-18-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13675/7/4/2/?documentUUID=2d268e7a-7b15-4d4e-9ea3-aefe926e4b2b,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,NNC(=O)NN,https://pubchem.ncbi.nlm.nih.gov/compound/73948,PubChem,NNC(=O)NN,Test
"EU_CLP:
pentaerythritol tetraacrylate",,4986-89-4,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,https://pubchem.ncbi.nlm.nih.gov/compound/62556,PubChem,C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,Test
"EU_CLP:
ditalimfos (ISO); O,O-diethyl phthalimidophosphonothioate",,5131-24-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O,https://pubchem.ncbi.nlm.nih.gov/compound/21207,PubChem,CCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O,Test
"EU_CLP:
ethyl-2-chloro-2,2-diphenylacetate",,52460-86-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/240547,PubChem,CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1,Test
"EU_CLP:
bronopol (INN); 2-bromo-2-nitropropane-1,3-diol",,52-51-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=[N+]([O-])C(Br)(CO)CO,https://pubchem.ncbi.nlm.nih.gov/compound/2450,PubChem,O=[N+]([O-])C(Br)(CO)CO,Test
"ChemSkin:
1-Methyl-3-phenyl-1-piperazine #, ###
EU_CLP:
1-methyl-3-phenyl-1-piperazine",,5271-27-2,Cat 2,"ChemSkin: https://doi.org/10.3390/toxics9110314
EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,Provided,"ChemSkin, EU_CLP",2,CN1CCNC(c2ccccc2)C1,https://pubchem.ncbi.nlm.nih.gov/compound/2760009,PubChem,CN1CCNC(c2ccccc2)C1,Test
"EU_REACH:
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide",,53179-11-6,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18180/7/4/2/?documentUUID=5e38ccb6-fb1d-446f-99c7-fc7b158a2784,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/3955,PubChem,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,Test
"EU_REACH:
propyl (2S)-2-hydroxypropanoate",,53651-69-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5435/7/4/2/?documentUUID=9c552395-e3e9-49da-842c-dac2e9279b2e,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCOC(=O)[C@H](C)O,https://pubchem.ncbi.nlm.nih.gov/compound/2734942,PubChem,CCCOC(=O)[C@H](C)O,Test
"EU_REACH:
N-[4-(methoxyacetyl)phenyl]acetamide",,5437-98-9,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20955/7/4/2/?documentUUID=d9217ed1-7d4e-4c22-8787-e7c1dc511ab4,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COc1ccc(NC(=O)CC(C)=O)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/21576,PubChem,COc1ccc(NC(=O)CC(C)=O)cc1,Test
"ChemSkin:
2-Ethylhexyl 4-methoxycinnamate (octinoxate)",,5466-77-3,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/5355130,PubChem,CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1,Test
"EU_CLP:
3-methyl-5-phenylpentan-1-al",,55066-49-4,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(CC=O)CCc1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/108313,PubChem,CC(CC=O)CCc1ccccc1,Test
"EU_REACH:
2,3-dihydro-1-benzofuran-2-one",,553-86-6,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/2122/7/4/2/?documentUUID=3672c489-c6f8-4f1e-af9a-eae644844935,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,O=C1Cc2ccccc2O1,https://pubchem.ncbi.nlm.nih.gov/compound/68382,PubChem,O=C1Cc2ccccc2O1,Test
"ChemSkin:
3,3-Dimethylpentane",,562-49-2,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCC(C)(C)CC,https://pubchem.ncbi.nlm.nih.gov/compound/11229,PubChem,CCC(C)(C)CC,Test
"EU_REACH:
tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate",,571188-59-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18360/7/4/2/?documentUUID=c8d68cf9-e328-4976-b049-a3e357bd6227,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)CC1,https://pubchem.ncbi.nlm.nih.gov/compound/11737525,PubChem,CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)CC1,Test
"EU_REACH:
N,N,N',N'-tetrakis(2-hydroxypropyl)hexanediamide",,57843-53-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10149/7/4/2/?documentUUID=567d1f2d-bfb7-4266-b931-059762b9bbb8,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(O)CN(CC(C)O)C(=O)CCCCC(=O)N(CC(C)O)CC(C)O,https://pubchem.ncbi.nlm.nih.gov/compound/93821,PubChem,CC(O)CN(CC(C)O)C(=O)CCCCC(=O)N(CC(C)O)CC(C)O,Test
"EU_REACH:
2-chloro-N,N-dimethyl-3-oxobutanamide",,5810-11-7,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6415/7/4/2/?documentUUID=c8ad8511-eb82-4406-ba50-722ef2173561,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(=O)C(Cl)C(=O)N(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/93011,PubChem,CC(=O)C(Cl)C(=O)N(C)C,Test
"EU_REACH:
N,N-Dibutyloleamide",,5831-80-1,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5664/7/4/2/?documentUUID=753336da-0c38-444b-ae2f-76866541c679,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCCCCC/C=C\CCCCCCCC(=O)N(CCCC)CCCC,https://pubchem.ncbi.nlm.nih.gov/compound/6436342,PubChem,CCCCCCCC/C=C\CCCCCCCC(=O)N(CCCC)CCCC,Test
"ChemSkin:
4-Amino-4H-1,2,4-triazole (4-amino-1,2,4-triazole)",,584-13-4,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,Nn1cnnc1,https://pubchem.ncbi.nlm.nih.gov/compound/11432,PubChem,Nn1cnnc1,Test
"EU_CLP:
2,3,4,6-tetrachlorophenol",,58-90-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Oc1c(Cl)cc(Cl)c(Cl)c1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/6028,PubChem,Oc1c(Cl)cc(Cl)c(Cl)c1Cl,Test
"EU_CLP:
1,4-dimethylcyclohexane",,589-90-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC1CCC(C)CC1,https://pubchem.ncbi.nlm.nih.gov/compound/11523,PubChem,CC1CCC(C)CC1,Test
"ChemSkin:
n-Butyl propionate",,590-01-2,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCCOC(=O)CC,https://pubchem.ncbi.nlm.nih.gov/compound/11529,PubChem,CCCCOC(=O)CC,Test
"EU_REACH:
1,4,6,10-Dodecatetraen-3-ol,3,7,11-trimethyl-,(4E,6E)-",,59121-99-2,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/22683/7/4/2/?documentUUID=6ecbc22f-fed7-41ae-9d53-1832a75af566,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=C[C@@](C)(O)/C=C/C=C(\C)CCC=C(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/154734787,PubChem,C=C[C@@](C)(O)/C=C/C=C(\C)CCC=C(C)C,Test
"ChemSkin:
1,5-Hexadiene",,592-42-7,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,C=CCCC=C,https://pubchem.ncbi.nlm.nih.gov/compound/11598,PubChem,C=CCCC=C,Test
"EU_REACH:
4-(2-phenylpropan-2-yl)phenol",,599-64-4,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/2159/7/4/2/?documentUUID=15c33855-af95-4a3d-9ad2-1de96140a629,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(c1ccccc1)c1ccc(O)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/11742,PubChem,CC(C)(c1ccccc1)c1ccc(O)cc1,Test
"EU_CLP:
4-bromo-2-chlorofluorobenzene",,60811-21-4,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Fc1ccc(Br)cc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/3543065,PubChem,Fc1ccc(Br)cc1Cl,Test
"EU_REACH:
4-chloro-1,2-dimethylbenzene",,615-60-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5679/7/4/2/?documentUUID=78ba5bec-caf0-4016-9cee-584f213d4c73,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,Cc1ccc(Cl)cc1C,https://pubchem.ncbi.nlm.nih.gov/compound/32886,PubChem,Cc1ccc(Cl)cc1C,Test
"EU_CLP:
8,8-dimethyl-7-isopropyl-6,10-dioxaspiro[4.5]decane",,62406-73-9,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)C1OC2(CCCC2)OCC1(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/236674,PubChem,CC(C)C1OC2(CCCC2)OCC1(C)C,Test
"EU_CLP:
methyl isocyanate",,624-83-9,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CN=C=O,https://pubchem.ncbi.nlm.nih.gov/compound/12228,PubChem,CN=C=O,Test
"EU_CLP:
2-cyclopentylidene cyclopentanol; 1,1'-bi(cyclopentyliden)-2-ol",,6261-30-9,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,OC1CCCC1=C1CCCC1,https://pubchem.ncbi.nlm.nih.gov/compound/579236,PubChem,OC1CCCC1=C1CCCC1,Test
"EU_CLP:
3-chloropropyl chloroformiate",,628-11-5,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C(Cl)OCCCCl,https://pubchem.ncbi.nlm.nih.gov/compound/69399,PubChem,O=C(Cl)OCCCCl,Test
"ChemSkin:
Di-n-propyl disulphide #, ##",,629-19-6,Cat 2,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CCCSSCCC,https://pubchem.ncbi.nlm.nih.gov/compound/12377,PubChem,CCCSSCCC,Test
"EU_CLP:
flumetralin (ISO); N-(2-chloro-6-fluorobenzyl)-N-ethyl-α,α,α-trifluoro-2,6-dinitro-p-toluidine",,62924-70-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],https://pubchem.ncbi.nlm.nih.gov/compound/62210,PubChem,CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],Test
"EU_CLP:
2-hydroxymethyl-9-methyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decane",,63187-91-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC1CCC(C(C)C)C2(C1)OCC(CO)O2,https://pubchem.ncbi.nlm.nih.gov/compound/162184,PubChem,CC1CCC(C(C)C)C2(C1)OCC(CO)O2,Test
"EU_CLP:
2,3,5,6-tetrafluorobenzoic acid",,652-18-6,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C(O)c1c(F)c(F)cc(F)c1F,https://pubchem.ncbi.nlm.nih.gov/compound/567533,PubChem,O=C(O)c1c(F)c(F)cc(F)c1F,Test
"EU_REACH:
(E)-4-decenal",,65405-70-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17668/7/4/2/?documentUUID=323426b2-c9d3-4178-abad-14388c0cd2f8,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCC/C=C/CCC=O,https://pubchem.ncbi.nlm.nih.gov/compound/5702654,PubChem,CCCCC/C=C/CCC=O,Test
"EU_REACH:
8-bromo-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione",,666816-98-4,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17504/7/4/2/?documentUUID=8b2e1d5d-9623-47ac-8507-2acd111690f7,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC#CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,https://pubchem.ncbi.nlm.nih.gov/compound/21088927,PubChem,CC#CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C,Test
"EU_CLP:
ethynyl cyclopropane",,6746-94-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C#CC1CC1,https://pubchem.ncbi.nlm.nih.gov/compound/138823,PubChem,C#CC1CC1,Test
"EU_CLP:
3-(2'-phenoxyethoxy)propylamine",,6903-18-0,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,NCCCOCCOc1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/18702439,PubChem,NCCCOCCOc1ccccc1,Test
"ChemSkin:
1-Bromo-4-chlorobutane #",,6940-78-9,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,ClCCCCBr,https://pubchem.ncbi.nlm.nih.gov/compound/81364,PubChem,ClCCCCBr,Test
"EU_CLP:
1-methyl-3-nitro-1-nitrosoguanidine",,70-25-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CN(N=O)C(=N)N[N+](=O)[O-],https://pubchem.ncbi.nlm.nih.gov/compound/135436526,PubChem,CN(N=O)C(=N)N[N+](=O)[O-],Test
"EU_CLP:
methyl 4-bromomethyl-3-methoxybenzoate",,70264-94-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,COC(=O)c1ccc(CBr)c(OC)c1,https://pubchem.ncbi.nlm.nih.gov/compound/2759828,PubChem,COC(=O)c1ccc(CBr)c(OC)c1,Test
"EU_CLP:
ethyl 2-cyanoacrylate",,7085-85-0,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=C(C#N)C(=O)OCC,https://pubchem.ncbi.nlm.nih.gov/compound/81530,PubChem,C=C(C#N)C(=O)OCC,Test
"EU_REACH:
bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate",,70969-58-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10446/7/4/2/?documentUUID=64c8dc3c-b391-4e53-ab8a-8d621ef56176,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/116722,PubChem,CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C,Test
"EU_REACH:
3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline",,71604-74-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15967/7/4/2/?documentUUID=2d51ec49-d096-4e16-ab84-f174ee20678a,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,c1cc(OCC2CO2)cc(N(CC2CO2)CC2CO2)c1,https://pubchem.ncbi.nlm.nih.gov/compound/3018173,PubChem,c1cc(OCC2CO2)cc(N(CC2CO2)CC2CO2)c1,Test
"EU_CLP:
N-(dichlorofluoromethylthio)phthalimide; N-(fluorodichloromethylthio)phthalimide",,719-96-0,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C1c2ccccc2C(=O)N1SC(F)(Cl)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/69755,PubChem,O=C1c2ccccc2C(=O)N1SC(F)(Cl)Cl,Test
"EU_CLP:
2-methylpropyl 2-hydroxy-2-methylbut-3-enoate",,72531-53-4,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CC(C)(O)C(=O)OCC(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/2827086,PubChem,C=CC(C)(O)C(=O)OCC(C)C,Test
"EU_REACH:
4-isobutyl-2-methylbenzaldehyde",,73206-60-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17395/7/4/2/?documentUUID=6f8fb838-f6d9-4282-ab1d-f024ec72cf4d,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,Cc1cc(CC(C)C)ccc1C=O,https://pubchem.ncbi.nlm.nih.gov/compound/12580548,PubChem,Cc1cc(CC(C)C)ccc1C=O,Test
"ChemSkin:
Benzenethiol, 5-(1,1-dimethylethyl)-2-methyl #",,7340-90-1,Cat 2,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,Cc1ccc(C(C)(C)C)cc1S,https://pubchem.ncbi.nlm.nih.gov/compound/596868,PubChem,Cc1ccc(C(C)(C)C)cc1S,Test
"EU_REACH:
7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one",,73942-87-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/8045/7/4/2/?documentUUID=b8aaf6c9-883e-4be8-b46f-5474c19886d3,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COc1cc2c(cc1OC)CC(=O)NC=C2,https://pubchem.ncbi.nlm.nih.gov/compound/1482373,PubChem,COc1cc2c(cc1OC)CC(=O)NC=C2,Test
"EU_CLP:
morfamquat (ISO); 1,1'-bis(3,5-dimethylmorpholinocarbonylmethyl)-4,4'-bipyridilium ion",,7411-47-4,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC1COCC(C)N1C(=O)C[n+]1ccc(-c2cc[n+](CC(=O)N3C(C)COCC3C)cc2)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/107851,PubChem,CC1COCC(C)N1C(=O)C[n+]1ccc(-c2cc[n+](CC(=O)N3C(C)COCC3C)cc2)cc1,Test
"EU_CLP:
2,4,4,7-tetramethyl-6-octen-3-one",,74338-72-0,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)=CCC(C)(C)C(=O)C(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/9815427,PubChem,CC(C)=CCC(C)(C)C(=O)C(C)C,Test
"ChemSkin:
Diisopropyl sebacate",,7491-02-3,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/24096,PubChem,CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C,Test
"ChemSkin:
Allyl phenoxyacetate #",,7493-74-5,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,C=CCOC(=O)COc1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/24117,PubChem,C=CCOC(=O)COc1ccccc1,Test
"EU_CLP:
trichloronitromethane; chloropicrin",,76-06-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=[N+]([O-])C(Cl)(Cl)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/6423,PubChem,O=[N+]([O-])C(Cl)(Cl)Cl,Test
"EU_CLP:
(2S,5R)-6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide",,76646-91-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O,https://pubchem.ncbi.nlm.nih.gov/compound/1427720,PubChem,CC1(C)[C@H](C(=O)O)N2C(=O)C(Br)(Br)[C@H]2S1(=O)=O,Test
"EU_CLP:
4-phenylbut-1-ene",,768-56-9,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CCCc1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/13033,PubChem,C=CCCc1ccccc1,Test
"EU_CLP:
2-methylpropan-1-ol; iso-butanol",,78-83-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)CO,https://pubchem.ncbi.nlm.nih.gov/compound/6560,PubChem,CC(C)CO,Test
"EU_REACH:
2-chlorobutane",,78-86-4,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5783/7/4/2/?documentUUID=71225670-2420-4844-9b2b-0c5e6a774cc6,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCC(C)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/6563,PubChem,CCC(C)Cl,Test
"EU_CLP:
7a-ethyl-3,5-bis(1-methylethyl)-2,3,4,5-tetrahydrooxazolo[3,4-c]-2,3,4,5-tetrahydrooxazole",,79185-77-6,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCC12COC(C(C)C)N1C(C(C)C)OC2,https://pubchem.ncbi.nlm.nih.gov/compound/3664989,PubChem,CCC12COC(C(C)C)N1C(C(C)C)OC2,Test
"EU_CLP:
dimethylcarbamoyl chloride",,79-44-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CN(C)C(=O)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/6598,PubChem,CN(C)C(=O)Cl,Test
"EU_CLP:
chlorfenson (ISO); 4-chlorophenyl 4-chlorobenzenesulfonate",,80-33-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/6635,PubChem,O=S(=O)(Oc1ccc(Cl)cc1)c1ccc(Cl)cc1,Test
"EU_CLP:
bis(α,α-dimethylbenzyl) peroxide",,80-43-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/6641,PubChem,CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1,Test
"EU_CLP:
sabadilla (ISO); veratrine",,8051-02-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C/C=C(/C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(O)C[C@H](O)[C@@]6(O)[C@@H](CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@]5(O)C[C@@]42O[C@]13O,https://pubchem.ncbi.nlm.nih.gov/compound/5380394,PubChem,C/C=C(/C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(O)C[C@H](O)[C@@]6(O)[C@@H](CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@]5(O)C[C@@]42O[C@]13O,Test
"EU_CLP:
methyl 2,2-dimethyl-6-methylenecyclohexanecarboxylate",,81752-87-6,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=C1CCCC(C)(C)C1C(=O)OC,https://pubchem.ncbi.nlm.nih.gov/compound/11095260,PubChem,C=C1CCCC(C)(C)C1C(=O)OC,Test
"EU_CLP:
hexamethylene-di-isocyanate",,822-06-0,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C=NCCCCCCN=C=O,https://pubchem.ncbi.nlm.nih.gov/compound/13192,PubChem,O=C=NCCCCCCN=C=O,Test
"EU_CLP:
di-L-para-menthene",,83648-84-4,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC1=CCC(C(C)CC(C)(C)C2CC=C(C)CC2)CC1,https://pubchem.ncbi.nlm.nih.gov/compound/163420288,PubChem,CC1=CCC(C(C)CC(C)(C)C2CC=C(C)CC2)CC1,Test
"EU_CLP:
phthalic anhydride",,85-44-9,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C1OC(=O)c2ccccc21,https://pubchem.ncbi.nlm.nih.gov/compound/6811,PubChem,O=C1OC(=O)c2ccccc21,Test
"EU_REACH:
N-(4-chlorophenyl)-4-{2-[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazen-1-yl}-3-hydroxynaphthalene-2-carboxamide",,85776-14-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15833/7/4/2/?documentUUID=07c04951-3157-48b0-8d4a-bab2dd3fcced,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CN(C)S(=O)(=O)c1cc(Cl)c(N=Nc2c(O)c(C(=O)Nc3ccc(Cl)cc3)cc3ccccc23)cc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/136003704,PubChem,CN(C)S(=O)(=O)c1cc(Cl)c(N=Nc2c(O)c(C(=O)Nc3ccc(Cl)cc3)cc3ccccc23)cc1Cl,Test
"EU_REACH:
(3S)-oxolan-3-ol",,86087-23-2,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11545/7/4/2/?documentUUID=1d0a0e08-9253-4df1-af13-4f6d9bb91a7f,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,O[C@H]1CCOC1,https://pubchem.ncbi.nlm.nih.gov/compound/2733227,PubChem,O[C@H]1CCOC1,Test
"EU_CLP:
2,4-dichloro-5-fluorobenzoylchloride",,86393-34-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=C(Cl)c1cc(F)c(Cl)cc1Cl,https://pubchem.ncbi.nlm.nih.gov/compound/2736821,PubChem,O=C(Cl)c1cc(F)c(Cl)cc1Cl,Test
"ChemSkin:
Naphthalene acetic acid #",,86-87-3,NC,ChemSkin: https://doi.org/10.3390/toxics9110314,"ChemSkin:
Experimental study (OECD TG 404)",Provided,ChemSkin,1,O=C(O)Cc1cccc2ccccc12,https://pubchem.ncbi.nlm.nih.gov/compound/6862,PubChem,O=C(O)Cc1cccc2ccccc12,Test
"EU_CLP:
2-hydroxyethyl methacrylate",,868-77-9,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=C(C)C(=O)OCCO,https://pubchem.ncbi.nlm.nih.gov/compound/13360,PubChem,C=C(C)C(=O)OCCO,Test
"EU_REACH:
3-methyl-1-p-tolyl-5-pyrazolone",,86-92-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/16799/7/4/2/?documentUUID=da18385e-f85c-4410-96e2-1f7b56e7a2e9,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC1=NN(c2ccc(C)cc2)C(=O)C1,https://pubchem.ncbi.nlm.nih.gov/compound/66591,PubChem,CC1=NN(c2ccc(C)cc2)C(=O)C1,Test
"EU_CLP:
2,6-xylidine; 2,6-dimethylaniline",,87-62-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Cc1cccc(C)c1N,https://pubchem.ncbi.nlm.nih.gov/compound/6896,PubChem,Cc1cccc(C)c1N,Test
"EU_CLP:
diethylcarbamoyl chloride",,88-10-8,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCN(CC)C(=O)Cl,https://pubchem.ncbi.nlm.nih.gov/compound/6916,PubChem,CCN(CC)C(=O)Cl,Test
"EU_CLP:
ethyl 3-hydroxy-5-oxo-3-cyclohexene-1-carboxylate",,88805-65-6,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CCOC(=O)C1CC(=O)C=C(O)C1,https://pubchem.ncbi.nlm.nih.gov/compound/10559379,PubChem,CCOC(=O)C1CC(=O)C=C(O)C1,Test
"EU_CLP:
2-(2,4-dichlorophenyl)-2-(2-propenyl)oxirane",,89544-48-9,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CCC1(c2ccc(Cl)cc2Cl)CO1,https://pubchem.ncbi.nlm.nih.gov/compound/5463810,PubChem,C=CCC1(c2ccc(Cl)cc2Cl)CO1,Test
"EU_CLP:
1-naphtol",,90-15-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Oc1cccc2ccccc12,https://pubchem.ncbi.nlm.nih.gov/compound/7005,PubChem,Oc1cccc2ccccc12,Test
"EU_CLP:
2-phenylphenol (ISO); biphenyl-2-ol; 2-hydroxybiphenyl",,90-43-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,Oc1ccccc1-c1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/7017,PubChem,Oc1ccccc1-c1ccccc1,Test
"EU_CLP:
2,4,6-tris(dimethylaminomethyl)phenol",,90-72-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1,https://pubchem.ncbi.nlm.nih.gov/compound/7026,PubChem,CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1,Test
"EU_CLP:
4,8,12-trimethyltrideca-3,7,11-trienoic acid, mixed isomers",,91853-67-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(C)=CCCC(C)=CCCC(C)=CCC(=O)O,https://pubchem.ncbi.nlm.nih.gov/compound/53791761,PubChem,CC(C)=CCCC(C)=CCCC(C)=CCC(=O)O,Test
"EU_REACH:
tert-butyl 2,2-dimethylpropaneperoxoate",,927-07-1,Cat 2,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14312/7/4/2/?documentUUID=34f4a364-67e4-4aa1-aea1-8d6d8fccae05,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CC(C)(C)OOC(=O)C(C)(C)C,https://pubchem.ncbi.nlm.nih.gov/compound/61238,PubChem,CC(C)(C)OOC(=O)C(C)(C)C,Test
"EU_REACH:
3-methoxy-3,8,8,9,9-pentamethyl-2-oxa-7-thia-3,8-disiladecane",,927395-20-8,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13652/7/4/2/?documentUUID=84464ba3-ab5f-4779-8cc4-e66f624bb933,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CO[Si](C)(CCCS[Si](C)(C)C(C)(C)C)OC,https://pubchem.ncbi.nlm.nih.gov/compound/87161845,PubChem,CO[Si](C)(CCCS[Si](C)(C)C(C)(C)C)OC,Test
"EU_CLP:
4-[(3-hydroxypropyl)amino]-3-nitrophenol",,92952-81-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,O=[N+]([O-])c1cc(O)ccc1NCCCO,https://pubchem.ncbi.nlm.nih.gov/compound/5463795,PubChem,O=[N+]([O-])c1cc(O)ccc1NCCCO,Test
"EU_REACH:
3-[3-(triethoxysilyl)propyl]dihydrofuran-2,5-dione",,93642-68-3,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17384/7/4/2/?documentUUID=f503e813-65fb-4a82-a429-b4e54214227d,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCO[Si](CCCC1CC(=O)OC1=O)(OCC)OCC,https://pubchem.ncbi.nlm.nih.gov/compound/3022158,PubChem,CCO[Si](CCCC1CC(=O)OC1=O)(OCC)OCC,Test
"EU_CLP:
allidochlor (ISO); N,N-diallylchloroacetamide",,93-71-0,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CCN(CC=C)C(=O)CCl,https://pubchem.ncbi.nlm.nih.gov/compound/7157,PubChem,C=CCN(CC=C)C(=O)CCl,Test
"EU_CLP:
fenoprop (ISO); 2-(2,4,5-trichlorophenoxy)propionic acid",,93-72-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O,https://pubchem.ncbi.nlm.nih.gov/compound/7158,PubChem,CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O,Test
"EU_REACH:
2-(2-{2-[(2-ethylhexanoyl)oxy]ethoxy}ethoxy)ethyl 2-ethylhexanoate",,94-28-0,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15760/7/4/2/?documentUUID=564ef9a7-74fa-4b6d-9d77-730550660c51,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC,https://pubchem.ncbi.nlm.nih.gov/compound/7185,PubChem,CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC,Test
"EU_CLP:
1,2-dimethyl-3-(1-methylethenyl)cyclopentyl acetate",,94346-09-5,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=C(C)C1CCC(C)(OC(C)=O)C1C,https://pubchem.ncbi.nlm.nih.gov/compound/21156163,PubChem,C=C(C)C1CCC(C)(OC(C)=O)C1C,Test
"EU_CLP:
bis(piperidinothiocarbonyl) disulphide",,94-37-1,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,S=C(SSC(=S)N1CCCCC1)N1CCCCC1,https://pubchem.ncbi.nlm.nih.gov/compound/7188,PubChem,S=C(SSC(=S)N1CCCCC1)N1CCCCC1,Test
"EU_REACH:
(4-chloro-2-fluoro-3-methoxyphenyl)boronic acid",,944129-07-1,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/8067/7/4/2/?documentUUID=a2372e9a-98b4-453d-bff5-65ca3f556598,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COc1c(Cl)ccc(B(O)O)c1F,https://pubchem.ncbi.nlm.nih.gov/compound/44129706,PubChem,COc1c(Cl)ccc(B(O)O)c1F,Test
"EU_CLP:
methyl acrylate; methyl propenoate",,96-33-3,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=CC(=O)OC,https://pubchem.ncbi.nlm.nih.gov/compound/7294,PubChem,C=CC(=O)OC,Test
"EU_CLP:
methyl chloroacetate",,96-34-4,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,COC(=O)CCl,https://pubchem.ncbi.nlm.nih.gov/compound/7295,PubChem,COC(=O)CCl,Test
"EU_REACH:
4-[4-(prop-2-en-1-yloxy)benzenesulfonyl]phenol",,97042-18-7,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13018/7/4/2/?documentUUID=9eeae5f6-2fff-4891-af9c-5426ae538003,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,C=CCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1,https://pubchem.ncbi.nlm.nih.gov/compound/2054598,PubChem,C=CCOc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1,Test
"EU_REACH:
4-methoxy-3-nitro-N-phenylbenzamide",,97-32-5,NC,EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17472/7/4/2/?documentUUID=784cd733-ef89-4649-b2e6-8b73600f1df3,"EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,EU_REACH,1,COc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-],https://pubchem.ncbi.nlm.nih.gov/compound/7331,PubChem,COc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-],Test
"EU_CLP:
ethyl methacrylate",,97-63-2,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,C=C(C)C(=O)OCC,https://pubchem.ncbi.nlm.nih.gov/compound/7343,PubChem,C=C(C)C(=O)OCC,Test
"ChemSkin:
Butyl methacrylate
EU_CLP:
n-butyl methacrylate
EU_REACH:
butyl methacrylate",,97-88-1,Cat 2,"ChemSkin: https://doi.org/10.3390/toxics9110314
EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15151/7/4/2/?documentUUID=80114faa-bc9f-4bc9-88af-9cdf30d719e1","ChemSkin:
Experimental study (OECD TG 404)
EU_REACH:
Experimental study (OECD TG 404, GLP)",Provided,"ChemSkin, EU_CLP, EU_REACH",3,C=C(C)C(=O)OCCCC,https://pubchem.ncbi.nlm.nih.gov/compound/7354,PubChem,C=C(C)C(=O)OCCCC,Test
"EU_CLP:
α,α,α-trichlorotoluene; benzotrichloride",,98-07-7,Cat 2,"EU_CLP: https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp, Annex VI to CLP_ATP18",,,EU_CLP,1,ClC(Cl)(Cl)c1ccccc1,https://pubchem.ncbi.nlm.nih.gov/compound/7367,PubChem,ClC(Cl)(Cl)c1ccccc1,Test