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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 ECVAM VAL STUDY ON SKIN IRRITATION (SIVS) excel file 
CASEINECSJRC CODEChemical NameSMILES
111-25-1203-850-2-1-BromohexaneCCCCCCBr
2550-52-9607-739-3-CyclohexadecanoneO=C1CCCCCCCCCCCCCCC1
3508-98-3--2-PhenylhexanenitrileN#C[C@@H](c1ccccc1)CCCC
629-03-8211-067-2-1,6-DibromohexaneBrCCCCCCBr
80-54-6201-289-8-Lilestralis/lilialCC(Cc1ccc(cc1)C(C)(C)C)C=O
97-88-1202-615-1-Butyl methacrylateCCCCOC(=O)C(=C)C
103-95-7203-161-7-Cyclamen aldehydeCC(Cc1ccc(cc1)C(C)C)C=O
107898-54-4600-853-4-(±) 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
1119-62-6214-284-0-3,3-Dithiodipropionic acidOC(=O)CCSSCCC(=O)O
121-73-3204-496-1JRC-0006373-Chloronitrobenzene[O-][N+](=O)c1cccc(Cl)c1
209802-43-7--Capryl-isostearate-
29911-28-2249-951-5-Dipropylene glycol monobutyl etherCCCCOCC(C)OCC(C)O
629-19-6211-079-8-Di-n-propyl disulphideCCCSSCCC
67-63-0200-661-7JRC-000011IsopropanolOC(C)C
107-75-5203-518-7-HydroxycitronellalCC(CCCC(C)(C)O)CC=O
110-27-0203-751-4-Isopropyl myristateCCCCCCCCCCCCCC(=O)OC(C)C
111-71-7203-898-4-HeptanalCCCCCCC=O
112-30-1203-956-9-1-DecanolCCCCCCCCCCO
112-61-8203-990-4-Methyl stearateCCCCCCCCCCCCCCCCCC(=O)OC
16947-63-0605-554-2-2,6-Dimethyl-4-nitrobenzeneamineCc1cc(cc(C)c1N)[N+](=O)[O-]
5271-27-2610-888-7-1-Methyl-3-phenyl-1-piperazineCN1CCNC(C1)c2ccccc2
5351-04-2226-323-9-3-Diethylaminopropionitrile-
71-55-6200-756-3JRC-0002351,1,1-TrichloroethaneCC(Cl)(Cl)Cl
78-70-6201-134-4-LinalolCC(=CCCC(C)(C=C)O)C
110-53-2203-776-0-1-BrompentaneCCCCCBr
112-39-0203-966-3-Methyl palmitateCCCCCCCCCCCCCCCC(=O)OC
125474-34-2--(E,E)-3,7,11-trimethyldodeca-1,4,6,10-tetraen-3-ol-
129228-21-3--2-Isopropyl-2-isobutyl-1,3-dimethoxypropaneCOCC(COC)(CC(C)C)C(C)C
95-68-1202-440-0-2,4-XylidineCc1ccc(c(c1)C)N
---Bis[(1-methylimidazol)-(2-ethyl-hexanoate)], zinc complex-
103-05-9203-074-4-2-Methyl-4-phenyl-2-butanolCC(C)(O)CCc1ccccc1
111-82-0203-911-3-Methyl laurateCCCCCCCCCCCC(=O)OC
112-84-5204-009-2-ErucamideCCCCCCCC\C=C/CCCCCCCCCCCC(=O)N
118-82-1204-279-1-4,4-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
142-19-8205-527-1-Allyl heptanoateCCCCCCC(=O)OCC=C
142-91-6205-571-1JRC-001314Isopropyl palmitateCCCCCCCCCCCCCCCC(=O)OC(C)C
26218-04-2607-885-8-2-Ethylhexyl 4-aminobenzoateCCCCC(CC)COC(=O)c1ccc(N)cc1
584-13-4209-533-5-4-Amino-1,2,4-triazoleNn1cnnc1
5989-27-5227-813-5-D-LimoneneCC(=C)[C@@H]1CCC(=CC1)C
624-92-0210-871-0-Dimethyl disulphideCSSC
68047-07-4614-249-3-1-[4-(2-Dimethylaminoethoxy)phenyl]-2-phenylbutan-1-oneCCC(C(=O)c1ccc(OCCN(C)C)cc1)c2ccccc2
98-55-5202-680-6-α-TerpineolCC1=CCC(CC1)C(C)(C)O
106-22-9203-375-0-Di-citronellolCC(CCO)CCC=C(C)C
115-95-7204-116-4JRC-000662Linalyl acetateCC(=CCCC(C)(OC(=O)C)C=C)C
118-58-1204-262-9-Benzyl salicylateOc1ccccc1C(=O)OCc2ccccc2
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
166412-78-8605-439-7-Diisononyl cyclohexane-1,2-dicarboxylateCC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C
3446-89-7222-365-7-4-Methylthio-benzaldehydeCSc1ccc(C=O)cc1
4166-20-5609-950-6-2,5-Dimethyl-4-oxo-4,5-dihydrofuran-3-yl acetateCC1OC(=C(OC(=O)C)C1=O)C
51755-83-0610-721-8-3-MercaptohexanolCCCC(S)CCO
6940-78-9230-089-3-1-Bromo-4-chlorobutaneClCCCCBr
7493-74-5231-335-2-Allyl phenoxyacetateC=CCOC(=O)COc1ccccc1
100-51-6202-859-9-BenzylalcoholOCc1ccccc1
104-55-2203-213-9-CinnamaldehydeO=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
122760-85-4--4-Methyl-8-methylenetricyclo[3,3,1,1(3,7)]dec-2-yl acetate-
152848-22-1--Isostearic acid monoisopropanolamide-
25265-71-8246-770-3-Di-propylene glycolCCC(O)OC(O)CC
2820-37-3--3,4-dimethyl-1H-pyrazolen1[nH]cc(c1C)C
43028-69-9610-100-1-2-(Formylamino)-3-thiophenecarboxylic acidOC(=O)c1ccsc1NC=O
6259-76-3228-408-6-Hexyl salicylateCCCCCCOC(=O)c1ccccc1O
67914-69-6614-165-7-Ethyl 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
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
112-38-9203-965-8-10-Undecenoic acidOC(=O)CCCCCCCCC=C
120-51-4204-402-9JRC-000142Benzyl benzoateO=C(OCc1ccccc1)c2ccccc2
128119-70-0603-258-8-2-Methyl-3-[(1,7,7-trimethylbicyclo[2,2,1]hept-2-yl)oxy]-1-propanol, bornyl isomerCC(CO)COC1CC2CCC1(C)C2(C)C
140-11-4205-399-7-Benzyl acetateCC(=O)OCc1ccccc1
143-07-7205-582-1-Lauric acidCCCCCCCCCCCC(=O)O
180898-37-7605-910-7-Disodium 2,2.-(1,4-phenylene)bis-(1H-benzimidazole-4,6-disulfonic acid or monosulfonic acid, monosulfonate or disulfonateOS(=O)(=O)c1cc(c2nc([nH]c2c1)c3ccc(cc3)c4nc5c(cc(cc5[nH]4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
2370-63-0219-135-3-2-Ethoxy ethyl methacrylateCCOCCOC(=O)C(=C)C
238088-70-5--[2-(Cyclopentyloxy)ethyl]benzene(cyclopentyl 2-Phenylethyl ether)C(OC1CCCC1)C1=CC=CC=C1
350-30-1206-499-3-3-Chloro-4-fluoronitrobenzene[O-][N+](=O)c1ccc(F)c(Cl)c1
5870-93-9227-526-5-Heptyl butyrateCCCCCCCOC(=O)CCC
7340-90-1615-977-4-Benzenethiol, 5-(1,1-dimethylethyl)-2-methylCc1ccc(cc1S)C(C)(C)C
84-66-2201-550-6JRC-000242Diethyl phthalateCCOC(=O)C1=C(C=CC=C1)C(=O)OCC
86604-75-3617-892-8-2-Chloromethyl-3,5-dimethyl-4-methoxypyridine hydrochlorideCl.COc1c(C)cnc(CCl)c1C
931-87-3213-243-4-cis-CycloocteneC1CCCC=CCC1
97-53-0202-589-1-EugenolCOc1cc(CC=C)ccc1O

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