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ACuteTox: Reference chemicals used in the FP6 Integrated Project ACuteTox The main goal of this integrated project funded by EU 6FP, was to develop, optimise and prevalidate a simple and robust non-animal testing strategy for predicting human acute oral toxicity and for classification and labelling of chemicals into the four EU CLP acute oral toxicity categories and the non-classified. The project was set up in two phases and 124 reference chemicals were tested. 1 2 3 4 (124 chemicals) download  excel file 
CASEINECSChemical NameSMILES
101-72-4 202-969-7N-isopropyl-N'-phenyl-p-phenylenediamineCC(C)NC1=CC=C(NC2=CC=CC=C2)C=C1
102-76-1 203-051-9Glycerol triacetateCC(=O)OCC(COC(C)=O)OC(C)=O
1034-01-1 213-853-0Octyl 3,4,5-trihydroxybenzoateCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1
107-64-2 203-508-2Dimethyldioctadecylammonium chlorideC([N+](CCCCCCCCCCCCCCCCCC)(C)C)CCCCCCCCCCCCCCCCC.[ClH-]
109-16-0 203-652-6Triethylene glycol dimethacrylateCC(=C)C(=O)OCCOCCOCCOC(=O)C(C)=C
110-16-7 203-742-5Maleic acidO=C(O)C=CC(=O)O
120-51-4 204-402-9Benzyl benzoateO=C(OCc1ccccc1)c2ccccc2
121-87-9 204-502-22-Chloro-4-nitroanilinec1(cc(c(N)cc1)Cl)[N+](=O)[O-]
124-07-2 204-677-5Caprylic acidO=C(O)CCCCCCC
131-17-9 205-016-3Diallyl phthalateC=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C
1338-39-2 215-663-3Sorbitan monolaurateO1[C@@H]([C@H]([C@@H](O)C1)O)[C@H](COC(CCCCCCCCCCC)=O)O
2386-87-0 219-207-4Diepoxide 126O=C(OCC1CCC2OC2C1)C1CCC2OC2C1
26761-40-0 247-977-1Di-'isodecyl' phthalatec1(c(cccc1)C(OCCCCCCCC(C)C)=O)C(OCCCCCCCC(C)C)=O
357-57-3 206-614-7Brucine[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=CC(OC)=C(OC)C=C7[C@@]1(CC[N@]2C4)[C@]6([H])[C@@]35[H]
3926-62-3 223-498-3Sodium salt of chloroacetic acid[O-]C(CCl)=O.[Na+]
57-13-6 200-315-5UreaO=C(N)N
60-00-4 200-449-4Edetic acidO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
7778-80-5 231-915-5Potassium sulfateS(=O)(=O)([O-])[O-].[K+].[K+]
79-94-7 201-236-92,2',6,6'-Tetrabromo-4,4'-isopropylidenediphenolOc(c(cc(c1)C(c(cc(c(O)c2Br)Br)c2)(C)C)Br)c1Br
81-14-1 201-328-94'-Tert-butyl-2',6'-dimethyl-3',5'-dinitroacetophenoneCC(=O)C1=C(C)C(=C(C(=C1C)[N](=O)=O)C(C)(C)C)[N](=O)=O
866-84-2 212-755-5Tripotassium citrateC(CC(=O)[O-])(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+]
90-72-2 202-013-92,4,6-Tris(dimethylaminomethyl)phenolOc(c(cc(c1)CN(C)C)CN(C)C)c1CN(C)C
9005-64-5 500-018-3Tween 20
92-43-3 202-155-11-Phenyl-3-pyrazolidone O=C1CCN(N1)C1=CC=CC=C1
Records:101:124 Back