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ECVAM VAL STUDY ON SKIN IRRITATION (SIVS): Prospective validation study on RhE test methods (EpiSkinTM, EpiDermTM SIT and SkinEthicTM RHE) for skin irritation "The selected chemicals had been taken from one of four different source databases, the New Chemical Database (NCD) of the European Chemicals Bureau (ECB), the ECETOC database for skin irritation (ECETOC, 1995; Bagley et al., 1996), the TSCA (Toxic Substances Control Act) database and the Cosmetics Ingredients Review (CIR) compendium." "Forty-two of the chemicals had been tested repeatedly in one laboratory per in vitro test in the optimisation phase (Kandarova et al., 2005; Cotovio et al., 2005). The remaining 58 chemicals were tested blind in a multi-laboratory (three laboratories per test) design in the ECVAM Validation Study for Skin Irritation (Spielmann et al., 2007; Eskes et al., 2007)." 1 2 (78 chemicals) download  excel file 
CASEINECSChemical NameSMILES
100-51-6 202-859-9BenzylalcoholOCc1ccccc1
103-05-9 203-074-42-Methyl-4-phenyl-2-butanolCC(C)(O)CCc1ccccc1
103-95-7 203-161-7Cyclamen aldehydeCC(Cc1ccc(cc1)C(C)C)C=O
104-55-2 203-213-9CinnamaldehydeO=C\C=C\c1ccccc1
104864-90-6 3-.Cyclopentene-.1-.butanol, β,.2,.2,.3-.tetramethyl-.δ-.methylene-CC(CO)CC(=C)C1CC=C(C)C1(C)C
106-22-9 203-375-0Di-citronellolCC(CCO)CCC=C(C)C
107-75-5 203-518-7HydroxycitronellalCC(CCCC(C)(C)O)CC=O
107898-54-4 600-853-4(±) trans-3,3-Dimethyl-5-(2,2,3-trimethyl-cyclopent-3-en-1-yl)-pent-4-en-2-olCC(O)C(C)(C)C=CC1CC=C(C)C1(C)C
110-27-0 203-751-4Isopropyl myristateCCCCCCCCCCCCCC(=O)OC(C)C
110-53-2 203-776-01-BrompentaneCCCCCBr
111-25-1 203-850-21-BromohexaneCCCCCCBr
111-71-7 203-898-4HeptanalCCCCCCC=O
111-82-0 203-911-3Methyl laurateCCCCCCCCCCCC(=O)OC
1119-62-6 214-284-03,3-Dithiodipropionic acidOC(=O)CCSSCCC(=O)O
112-30-1 203-956-91-DecanolCCCCCCCCCCO
112-38-9 203-965-810-Undecenoic acidOC(=O)CCCCCCCCC=C
112-39-0 203-966-3Methyl palmitateCCCCCCCCCCCCCCCC(=O)OC
112-61-8 203-990-4Methyl stearateCCCCCCCCCCCCCCCCCC(=O)OC
112-84-5 204-009-2ErucamideCCCCCCCC\C=C/CCCCCCCCCCCC(=O)N
115-95-7 204-116-4Linalyl acetateCC(=CCCC(C)(OC(=O)C)C=C)C
118-58-1 204-262-9Benzyl salicylateOc1ccccc1C(=O)OCc2ccccc2
118-82-1 204-279-14,4-Methylene-bis(2,6-ditertbutyl)phenolCC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
120-51-4 204-402-9Benzyl benzoateO=C(OCc1ccccc1)c2ccccc2
121-73-3 204-496-13-Chloronitrobenzene[O-][N+](=O)c1cccc(Cl)c1
122760-84-3 4-Methyl-8-methylenetricyclo[3,3,1,1(3,7)]decan-2-olC1[C@@H]2[C@@H]([C@@H]3C([C@@H]1C[C@@H]([C@@H]2C)C3)=C)O
122760-85-4 4-Methyl-8-methylenetricyclo[3,3,1,1(3,7)]dec-2-yl acetate
125474-34-2 (E,E)-3,7,11-trimethyldodeca-1,4,6,10-tetraen-3-ol
128119-70-0 603-258-82-Methyl-3-[(1,7,7-trimethylbicyclo[2,2,1]hept-2-yl)oxy]-1-propanol, bornyl isomerCC(CO)COC1CC2CCC1(C)C2(C)C
129228-21-3 2-Isopropyl-2-isobutyl-1,3-dimethoxypropaneCOCC(COC)(CC(C)C)C(C)C
140-11-4 205-399-7Benzyl acetateCC(=O)OCc1ccccc1
142-19-8 205-527-1Allyl heptanoateCCCCCCC(=O)OCC=C
142-91-6 205-571-1Isopropyl palmitateCCCCCCCCCCCCCCCC(=O)OC(C)C
143-07-7 205-582-1Lauric acidCCCCCCCCCCCC(=O)O
152848-22-1 Isostearic acid monoisopropanolamide
166412-78-8 605-439-7Diisononyl cyclohexane-1,2-dicarboxylateCC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C
16947-63-0 605-554-22,6-Dimethyl-4-nitrobenzeneamineCc1cc(cc(C)c1N)[N+](=O)[O-]
180898-37-7 605-910-7Disodium 2,2.-(1,4-phenylene)bis-(1H-benzimidazole-4,6-disulfonic acid or monosulfonic acid, monosulfonate or disulfonatec1cc(ccc1c2[nH]c3c(n2)cc(cc3S(=O)(=O)[O-])S(=O)(=O)O)c4[nH]c5c(n4)cc(cc5S(=O)(=O)[O-])S(=O)(=O)O.[Na+].[Na+]
209802-43-7 Capryl-isostearate
2370-63-0 219-135-32-Ethoxy ethyl methacrylateCCOCCOC(=O)C(=C)C
238088-70-5 [2-(Cyclopentyloxy)ethyl]benzene(cyclopentyl 2-Phenylethyl ether)C(OC1CCCC1)C1=CC=CC=C1
25265-71-8 246-770-3Di-propylene glycolCCC(O)OC(O)CC
2550-52-9 607-739-3CyclohexadecanoneO=C1CCCCCCCCCCCCCCC1
26218-04-2 607-885-82-Ethylhexyl 4-aminobenzoateCCCCC(CC)COC(=O)c1ccc(N)cc1
2820-37-3 3,4-dimethyl-1H-pyrazolen1[nH]cc(c1C)C
29911-28-2 249-951-5Dipropylene glycol monobutyl etherCCCCOCC(C)OCC(C)O
3446-89-7 222-365-74-Methylthio-benzaldehydeCSc1ccc(C=O)cc1
350-30-1 206-499-33-Chloro-4-fluoronitrobenzene[O-][N+](=O)c1ccc(F)c(Cl)c1
3508-98-3 2-PhenylhexanenitrileN#C[C@@H](c1ccccc1)CCCC
4166-20-5 609-950-62,5-Dimethyl-4-oxo-4,5-dihydrofuran-3-yl acetateCC1OC(=C(OC(=O)C)C1=O)C
43028-69-9 610-100-12-(Formylamino)-3-thiophenecarboxylic acidOC(=O)c1ccsc1NC=O
51755-83-0 610-721-83-MercaptohexanolCCCC(S)CCO
5271-27-2 610-888-71-Methyl-3-phenyl-1-piperazineCN1CCNC(C1)c2ccccc2
5351-04-2 226-323-93-Diethylaminopropionitrile
584-13-4 209-533-54-Amino-1,2,4-triazoleNn1cnnc1
5870-93-9 227-526-5Heptyl butyrateCCCCCCCOC(=O)CCC
5989-27-5 227-813-5D-LimoneneCC(=C)[C@@H]1CCC(=CC1)C
624-92-0 210-871-0Dimethyl disulphideCSSC
6259-76-3 228-408-6Hexyl salicylateCCCCCCOC(=O)c1ccccc1O
629-03-8 211-067-21,6-DibromohexaneBrCCCCCCBr
629-19-6 211-079-8Di-n-propyl disulphideCCCSSCCC
67-63-0 200-661-7IsopropanolOC(C)C
67914-69-6 614-165-7Ethyl cis-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylateCCOC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2
68047-07-4 614-249-31-[4-(2-Dimethylaminoethoxy)phenyl]-2-phenylbutan-1-oneCCC(C(=O)c1ccc(OCCN(C)C)cc1)c2ccccc2
6940-78-9 230-089-31-Bromo-4-chlorobutaneClCCCCBr
7089-59-0 2S-(2-Furyl)-5R-hydroxy-4R-(1R,2-dihydroxy)ethyl-6S-hydroxymethyl-1,3-dioxaneO1[C@@H]([C@@H](O)[C@@H](O[C@@H]1c1occc1)CO)[C@@H](O)CO
71-55-6 200-756-31,1,1-TrichloroethaneCC(Cl)(Cl)Cl
7340-90-1 615-977-4Benzenethiol, 5-(1,1-dimethylethyl)-2-methylCc1ccc(cc1S)C(C)(C)C
7493-74-5 231-335-2Allyl phenoxyacetateC=CCOC(=O)COc1ccccc1
78-70-6 201-134-4LinalolCC(=CCCC(C)(C=C)O)C
80-54-6 201-289-8Lilestralis/lilialCC(Cc1ccc(cc1)C(C)(C)C)C=O
84-66-2 201-550-6Diethyl phthalateCCOC(=O)C1=C(C=CC=C1)C(=O)OCC
86604-75-3 617-892-82-Chloromethyl-3,5-dimethyl-4-methoxypyridine hydrochlorideCl.COc1c(C)cnc(CCl)c1C
931-87-3 213-243-4cis-CycloocteneC1CCCC=CCC1
95-68-1 202-440-02,4-XylidineCc1ccc(c(c1)C)N
97-53-0 202-589-1EugenolCOc1cc(CC=C)ccc1O
97-88-1 202-615-1Butyl methacrylateCCCCOC(=O)C(=C)C
98-55-5 202-680-6α-TerpineolCC1=CCC(CC1)C(C)(C)O
- Bis[(1-methylimidazol)-(2-ethyl-hexanoate)], zinc complex
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