Name stringlengths 14 548 | Synonym stringlengths 14 790 ⌀ | CAS RN stringlengths 7 12 | Y int64 0 1 | Detailed Page stringlengths 57 580 | Evidence stringlengths 40 2.31k ⌀ | OECD TG 404 stringclasses 1
value | Data Source stringclasses 34
values | Frequency int64 1 6 | SMILES stringlengths 2 255 | SMILES URL stringlengths 45 101 | SMILES Source stringclasses 4
values | Canonical SMILES stringlengths 2 248 | Split stringclasses 1
value |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
JP_CHRIP:
1,2,4,5-Tetrachlorobenzene | JP_CHRIP:
Benzene tetrachloride
s-Tetrachlorobenzene | 95-94-3 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0066e.html | JP_CHRIP:
It was classified as "Not classified" because it is reported that no appreciable irritation was observed in a test by a repeated application of a 10% solution to the ear or abdominal skin of rabbits (BUA 86 (1991)), and it is described that this substance was concluded to be non-irritating in a skin irritatio... | Provided | JP_CHRIP | 1 | Clc1cc(Cl)c(Cl)cc1Cl | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.573D | J-GLOBAL | Clc1cc(Cl)c(Cl)cc1Cl | Train |
EU_REACH:
2-[2-(4-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one | null | 95962-14-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/30194/7/4/2/?documentUUID=7f54fd88-7be6-467a-87c0-fee4d0f64dab | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=CCC(CC1)C(C)CC2CCCC2=O | https://pubchem.ncbi.nlm.nih.gov/compound/175661 | PubChem | CC1=CCC(C(C)CC2CCCC2=O)CC1 | Train |
EU_REACH:
methyl 1-(3-chloropyridin-2-yl)-3-(hydroxymethyl)-1H-pyrazole-5-carboxylate | null | 960316-73-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/16970/7/4/2/?documentUUID=c6359ae9-4890-4570-8bf7-f9e4831b0ff7 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC(=O)C1=CC(=NN1C2=C(C=CC=N2)Cl)CO | https://pubchem.ncbi.nlm.nih.gov/compound/53235501 | PubChem | COC(=O)c1cc(CO)nn1-c1ncccc1Cl | Train |
JP_CHRIP:
1,2,3-Trichloropropane | JP_CHRIP:
1,2,3-Trichloropropane
Allyl trichloride
Glycerol trichlorohydrin
Propane, 1,2,3-trichloro- | 96-18-4 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/16-mhlw-0117e.html | JP_CHRIP:
In a skin irritation test (in conformity to OECD TG 404), in which 0.5 mL of test substance was applied to rabbits for 4 hours, mild skin irritation was observed (SIDS (2004)). Therefore, it was classified as "Not classified" (corresponding to Category 3 in UN GHS classification). | Provided | JP_CHRIP | 1 | ClCC(Cl)CCl | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.962D | J-GLOBAL | ClCC(Cl)CCl | Train |
AU_HCIS:
1-Butanol, 2-amino-
NZ_CCID:
2-Amino-1-butanol | null | 96-20-8 | 1 | AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=5539
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/31824D2E-8478-4F6A-9AED-F1374214E4F6 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | AU_HCIS, NZ_CCID | 2 | CCC(CO)N | https://pubchem.ncbi.nlm.nih.gov/compound/22129 | PubChem | CCC(N)CO | Train |
EU_REACH:
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-chloroprop-2-enoate | null | 96383-55-0 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10080/7/4/2/?documentUUID=c618a845-7e18-4373-a433-f6800d8968a4 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C=C(C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/59297287 | PubChem | C=C(Cl)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | Train |
EU_REACH:
1,3-dioxolan-2-one | null | 96-49-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14909/7/4/2/?documentUUID=d8a418a1-a143-4dbb-99f6-8549c99f4f82 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1COC(=O)O1 | https://pubchem.ncbi.nlm.nih.gov/compound/7303 | PubChem | O=C1OCCO1 | Train |
EU_REACH:
4-trans-ethyl-4'-trans-propyl-[1,1'-bicyclohexyl] | null | 96624-41-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27175/7/4/2/?documentUUID=03133f81-119c-437d-965b-e5b7cff42129 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCC1CCC(CC1)C2CCC(CC2)CC | https://pubchem.ncbi.nlm.nih.gov/compound/19850402 | PubChem | CCCC1CCC(C2CCC(CC)CC2)CC1 | Train |
EU_REACH:
4-trans-Butyl-4'-trans-propyl-[1,1'-bicyclohexyl] | null | 96624-52-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27171/7/4/2/?documentUUID=7db757dd-d416-4694-8516-85ff88745425 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCC1CCC(CC1)C2CCC(CC2)CCC | https://pubchem.ncbi.nlm.nih.gov/compound/11086663 | PubChem | CCCCC1CCC(C2CCC(CCC)CC2)CC1 | Train |
EU_REACH:
3-[benzyl({4-[2-(4-nitrophenyl)diazen-1-yl]phenyl})amino]propanenitrile | null | 96662-24-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12107/7/4/2/?documentUUID=3df49d34-3273-4803-8110-a8b6d0fd9485 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C(C=C1)CN(CCC#N)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-] | https://pubchem.ncbi.nlm.nih.gov/compound/15869329 | PubChem | N#CCCN(Cc1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1 | Train |
EU_REACH:
4-methyl-3-nitrobenzoic acid | null | 96-98-0 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5345/7/4/2/?documentUUID=2c363557-c8ce-4f99-9472-c39aa4748c9b | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] | https://pubchem.ncbi.nlm.nih.gov/compound/7319 | PubChem | Cc1ccc(C(=O)O)cc1[N+](=O)[O-] | Train |
NZ_CCID:
Benzoic acid, 2-hydroxy-5-sulpho- | null | 97-05-2 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/002E9059-975E-4234-8FF5-7D6A59A6BBD8 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [CHEMWATCH]
Eye Irritation
R PHRASE: R 41 [CHEMWATCH] | null | NZ_CCID | 1 | C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O | https://pubchem.ncbi.nlm.nih.gov/compound/7322 | PubChem | O=C(O)c1cc(S(=O)(=O)O)ccc1O | Train |
JP_CHRIP:
4-Nitro-o-anisidine | JP_CHRIP:
4-Nitro-o-anisidine | 97-52-9 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/17-mhlw-2017e.html | JP_CHRIP:
Based on a report that in a skin irritation test with rabbits, no irritation was observed in the application of 500 mg of this substance (NTP IMM98007 (2011) (Access on May 2017)), it was classified as "Not classified." Besides, there is a description in the information source in List 3 that no irritation tes... | Provided | JP_CHRIP | 1 | COc1cc(ccc1N)[N+](=O)[O-] | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.207D | J-GLOBAL | COc1cc([N+](=O)[O-])ccc1N | Train |
EU_REACH:
1-(2,5-dioxoimidazolidin-4-yl)urea | null | 97-59-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13641/7/4/2/?documentUUID=dfbe1428-6ee4-4e73-bbdf-57019e1e6194 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1(C(=O)NC(=O)N1)NC(=O)N | https://pubchem.ncbi.nlm.nih.gov/compound/204 | PubChem | NC(=O)NC1NC(=O)NC1=O | Train |
NZ_CCID:
2-Methylpentanoic acid | null | 97-61-0 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/F02F6EDF-E0A6-46F0-AE49-69832589F52D | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CCCC(C)C(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/7341 | PubChem | CCCC(C)C(=O)O | Train |
JP_CHRIP:
Isobutyric anhydride
NZ_CCID:
2-Methylpropionic anhydride | NZ_CCID:
iso-butyric anhydride | 97-72-3 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/10-mhlw-0158e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/166DD4DA-022D-40BA-B0F2-2B797880CE43 | JP_CHRIP:
The substance is rapidly hydrolyzed to isobutyric acid by contact with water (SIDS (J) (Access on Sep. 2010)). Thus, the substance was classified as Category 1 based on the document that open application of isobutyric acid to rabbit skin caused some necrosis within 24 hours (PATTY, 5th (2001)).
NZ_CCID:
Skin... | null | JP_CHRIP, NZ_CCID | 2 | CC(C)C(=O)OC(=O)C(C)C | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.161F | J-GLOBAL | CC(C)C(=O)OC(=O)C(C)C | Train |
JP_CHRIP:
Tetraethylthiuram disulfide (Disulfiram) | JP_CHRIP:
1,1'-Dithiobis(N,N-diethylthioformamide)
bis-(N,N-Diethylthiocarbamoyl)disulfide
Disulfiram
TETD
Tetraethylthiuramdisulfide | 97-77-8 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/18-mhlw-2003e.html | JP_CHRIP:
[Rationale for the Classification]
Based on evidence (1)-(4) that this substance is not skin irritating, it was classified as "Not classified."
[Evidence Data]
(1) There is a report that a drunken-like effect was seen due to exposure with workers at a manufacturing plant, but it is also known that skin irrit... | Provided | JP_CHRIP | 1 | CCN(CC)C(=S)SSC(=S)N(CC)CC | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.980B | J-GLOBAL | CCN(CC)C(=S)SSC(=S)N(CC)CC | Train |
EU_REACH:
methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate | null | 97780-06-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20802/7/4/2/?documentUUID=bb417d49-fab8-41e6-a350-6bd3c59c9602 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)NC | https://pubchem.ncbi.nlm.nih.gov/compound/91756 | PubChem | CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1 | Train |
JP_CHRIP:
Triethylborane
NZ_CCID:
Borane, triethyl- | NZ_CCID:
Triethylborane, Triethylboron | 97-94-9 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/10-mhlw-0199e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/DA2A3A18-B3F5-4666-AD2A-6C944F6126B4 | JP_CHRIP:
The substance was classified as Category 1 based on the documents that the substance caused strong irritation to human skin, eye and respiratory system (HSDB (2010)) and the substance was classified as "C; R34 (Skin Corr. 1B)" as trialkyboranes in the EU classification (EC-JRC (ESIS) (Access on Dec. 2010)).
... | null | JP_CHRIP, NZ_CCID | 2 | CCB(CC)CC | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.478B | J-GLOBAL | CCB(CC)CC | Train |
EU_REACH:
2-chloro-1,1-dimethoxyethane | null | 97-97-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17184/7/4/2/?documentUUID=a82e2414-69a9-4b74-8509-a41746bfe512 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC(CCl)OC | https://pubchem.ncbi.nlm.nih.gov/compound/60986 | PubChem | COC(CCl)OC | Train |
EU_REACH:
2,9-dimethyl-5,7,12,14-tetrahydro-5,12-diazapentacene-7,14-dione | null | 980-26-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15097/7/4/2/?documentUUID=aabf1b39-4487-4c50-b208-f10146622530 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=CC2=C(C=C1)NC3=CC4=C(C=C3C2=O)NC5=C(C4=O)C=C(C=C5)C | https://pubchem.ncbi.nlm.nih.gov/compound/70423 | PubChem | Cc1ccc2[nH]c3cc4c(=O)c5cc(C)ccc5[nH]c4cc3c(=O)c2c1 | Train |
JP_CHRIP:
Benzenesulfonyl chloride
NZ_CCID:
Benzenesulphonyl chloride | null | 98-09-9 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/09-mhlw-0094e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/15891980-7B2F-49FA-9776-0F56221A1F4B | JP_CHRIP:
Based on a result of "corrosive" in a rabbit test (IUCLID (2000)), the substance was classified into Category 1.
NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | JP_CHRIP, NZ_CCID | 2 | ClS(=O)(=O)c1ccccc1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.983G | J-GLOBAL | O=S(=O)(Cl)c1ccccc1 | Train |
JP_CHRIP:
Benzenesulfonic acid
NZ_CCID:
Benzenesulphonic acid | JP_CHRIP:
Benzenemonosulfonic acid
Phenylsulfonic acid | 98-11-3 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0071e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/E6F359F2-D929-4675-A78E-45582CC9C70B | JP_CHRIP:
It was classified in Category 1 because there is a description of severe skin irritation in guinea pigs (HSDB (2002)), and the saturated solution of this substance has pH 2.
NZ_CCID:
Skin Irritation
R PHRASE: R 34 [CHEMWATCH]
Eye Irritation
R PHRASE: R 41 [CHEMWATCH] | null | JP_CHRIP, NZ_CCID | 2 | OS(=O)(=O)c1ccccc1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.182J | J-GLOBAL | O=S(=O)(O)c1ccccc1 | Train |
JP_CHRIP:
Trichlorophenylsilane | null | 98-13-5 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/11-mhlw-0011e.html | JP_CHRIP:
It was classified in Category 1 base on a result as "highly corrosive" in a rabbit test (IUCLID (2000)) and a result indicating "corrosion" in another rabbit test (HSDB (2000)). | null | JP_CHRIP | 1 | Cl[Si](Cl)(Cl)c1ccccc1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.322E | J-GLOBAL | Cl[Si](Cl)(Cl)c1ccccc1 | Train |
EU_REACH:
1-chloro-3-(trifluoromethyl)benzene | null | 98-15-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19799/7/4/2/?documentUUID=da93ee4f-47e1-45f8-8309-595e50d30ad6 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC(=CC(=C1)Cl)C(F)(F)F | https://pubchem.ncbi.nlm.nih.gov/compound/7374 | PubChem | FC(F)(F)c1cccc(Cl)c1 | Train |
AU_HCIS:
1,2-Benzenediol, 4-(1,1-dimethylethyl)-
NZ_CCID:
4-t-Butylpyrocatechol | NZ_CCID:
4-tert-butylcatechol | 98-29-3 | 1 | AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=6586
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/779E6331-F4AE-4B13-9B1B-352BDCAA6AB2 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | AU_HCIS, NZ_CCID | 2 | CC(C)(C)C1=CC(=C(C=C1)O)O | https://pubchem.ncbi.nlm.nih.gov/compound/7381 | PubChem | CC(C)(C)c1ccc(O)c(O)c1 | Train |
EU_REACH:
ethyl 1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate | null | 98349-25-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10623/7/4/2/?documentUUID=2291aa59-18ef-485e-a4f1-205ef78b096e | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)F)C3CC3 | https://pubchem.ncbi.nlm.nih.gov/compound/9817544 | PubChem | CCOC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O | Train |
EU_REACH:
trans-1,4-bis(isocyanatomethyl)cyclohexane | null | 98458-83-4 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26702/7/4/2/?documentUUID=fecb723c-8202-4de1-bb82-06bf9427fb51 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1CC(CCC1CN=C=O)CN=C=O | https://pubchem.ncbi.nlm.nih.gov/compound/61504 | PubChem | O=C=NCC1CCC(CN=C=O)CC1 | Train |
NZ_CCID:
4-Bromobenzenesulphonyl chloride | null | 98-58-8 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/2893EFAD-9CC9-4251-834A-0027964E8BE9 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C1=CC(=CC=C1S(=O)(=O)Cl)Br | https://pubchem.ncbi.nlm.nih.gov/compound/7396 | PubChem | O=S(=O)(Cl)c1ccc(Br)cc1 | Train |
NZ_CCID:
4-Toluenesulphonyl chloride | NZ_CCID:
4-Methylbenzenesulfonyl chloride, 4-Toluenesulfonyl chloride, Benzenesulfonyl chloride, 4-methyl-, Tosyl chloride, p-Methylbenzenesulfonyl chloride, p-Toluenesulfochloride, p-Toluenesulfonic acid chloride, p-Toluenesulphonyl chloride, p-Tolylsulfonyl chloride, p-Tosyl chloride, para-Toluenesulfonyl chloride | 98-59-9 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/38C8068C-2B7E-4CA4-AB65-012C913832B8 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CC1=CC=C(C=C1)S(=O)(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/7397 | PubChem | Cc1ccc(S(=O)(=O)Cl)cc1 | Train |
NZ_CCID:
4-Chlorobenzenesulphonyl chloride | null | 98-60-2 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/4168693B-5296-46E1-89C3-386A788C54E0 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C1=CC(=CC=C1S(=O)(=O)Cl)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/7398 | PubChem | O=S(=O)(Cl)c1ccc(Cl)cc1 | Train |
NZ_CCID:
4-Methoxybenzenesulphonyl chloride | null | 98-68-0 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/B4755BD2-F16B-4465-92A1-033F6D04568A | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [CHEMWATCH]
Eye Irritation
R PHRASE: R 41 [CHEMWATCH] | null | NZ_CCID | 1 | COC1=CC=C(C=C1)S(=O)(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/7401 | PubChem | COc1ccc(S(=O)(=O)Cl)cc1 | Train |
NZ_CCID:
4-Nitrobenzenesulphonyl chloride | null | 98-74-8 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/D222C6C1-5B24-4F4F-90EF-213D01E3C7BF | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/7404 | PubChem | O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1 | Train |
JP_CHRIP:
Cumene | JP_CHRIP:
(1-Methylethyl)benzene
1-Methylethylbenzene
2-Phenylpropane
isopropylbenzene
isopropylbenzene [synonym:cumene] | 98-82-8 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/ghs/21-mhlw-2011.html | JP_CHRIP:
【分類根拠】
（１）より、区分に該当しない。
【根拠データ】
（１）ウサギ（n= 6）を用いた皮膚刺激性試験（OECD TG404相当、無傷／有傷皮膚、72時間観察）では、24及び72時間後の観察で浮腫はみられなかったが、軽度で回復性のある紅斑が全例にみられた。6例の個体別平均スコア（フルスコア：8）は各々2、1.5、2、2、2及び1.5で無傷皮膚と有傷皮膚には差はなかった（AICIS IMAP (2016)、EU RAR (2001)、ACGIH (7th, 2001)、厚労省 リスク評価書 (2015)、産衛学会 許容濃度暫定値の提案理由書 (2019)、REACH登録情報 (Accessed Dec. 2... | Provided | JP_CHRIP | 1 | CC(C)c1ccccc1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.581E | J-GLOBAL | CC(C)c1ccccc1 | Train |
AU_HCIS:
benzoyl chloride
JP_CHRIP:
Benzoyl chloride
KR_NCIS:
Benzoyl chloride
NZ_CCID:
Benzoyl chloride
US_HSDB:
Benzoyl chloride | JP_CHRIP:
alpha-Chlorinated toluenes (benzal chloride, benzotrichloride, benzyl chloride) and benzoyl chloride (combined exposures)
alpha-Chlorobenzaldehyde
Benzenecarbonyl chloride
Benzoic acid chloride
KR_NCIS:
Benzenecarbonyl chloride; Benzoic acid chloride
NZ_CCID:
Benzenecarbonyl chloride, Benzoic acid, chloride | 98-88-4 | 1 | AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=457
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/18-mhlw-2015e.html
KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances"
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-inf... | JP_CHRIP:
[Rationale for the Classification]
Based on (1)-(3), it was judged that this substance is corrosive to the skin, and it was classified in Category 1.
[Evidence Data]
(1) It is described that this substance is corrosive to humans in multiple articles in literature (NICNAS IMAP (Accessed Aug. 2018), Vincoli (1... | null | AU_HCIS, JP_CHRIP, KR_NCIS, NZ_CCID, US_HSDB | 5 | ClC(=O)c1ccccc1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.987J | J-GLOBAL | O=C(Cl)c1ccccc1 | Train |
JP_CHRIP:
N,N-Dimethylcyclohexylamine
NZ_CCID:
Cyclohexyldimethylamine | JP_CHRIP:
N,N-Dimethyl-cyclohexylamine
Cyclohexanamine, N,N-dimethyl-
Cyclohexylamine, N,N-dimethyl-
Cyclohexyldimethylamine
N,N-Dimethylaminocyclohexane
N-Cyclohexyldimethylamine
NZ_CCID:
(Dimethylamino)Cyclohexane, N, N-Dimethylcyclohexanamine, N,N-Dimethylcyclohexylamine | 98-94-2 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/17-mhlw-2015e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/D1F03E47-69FF-4B3D-BF20-ABA7BDE1E357 | JP_CHRIP:
Based on a report that it was corrosive in a skin irritation test with rabbits, and a description that the 5 g/L aqueous solution of this substance was pH 12 (GESTIS (Access on May 2017)), and that the corrosive properties were attributable to the alkaline properties of the aqueous solution of this substance ... | null | JP_CHRIP, NZ_CCID | 2 | CN(C)C1CCCCC1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.960C | J-GLOBAL | CN(C)C1CCCCC1 | Train |
EU_REACH:
(2R)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran; (2R)-6-fluoro-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran; (2S)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran; (2S)-6-fluoro-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-1-benzopyran | null | 99199-90-3 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7989/7/4/2/?documentUUID=c0d62c61-66f0-4edb-9563-92c0f06152b6 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1CC2=C(C=CC(=C2)F)OC1C3CO3 | https://pubchem.ncbi.nlm.nih.gov/compound/11658439 | PubChem | Fc1ccc2c(c1)CCC(C1CO1)O2 | Train |
EU_REACH:
trehalose | null | 99-20-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26864/7/4/2/?documentUUID=77f7f2d0-73f4-429d-b101-7c237782ac02 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O | https://pubchem.ncbi.nlm.nih.gov/compound/7427 | PubChem | OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | Train |
EU_REACH:
4,4'-Methylenebis(N-butoxycarbonylcyclohexanamine) | null | 99305-42-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20249/7/4/2/?documentUUID=e113222c-646e-45bf-b87e-8df97c8f14f8 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCOC(=O)NC1CCC(CC1)CC2CCC(CC2)NC(=O)OCCCC | https://pubchem.ncbi.nlm.nih.gov/compound/11742316 | PubChem | CCCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCCCC)CC2)CC1 | Train |
EU_REACH:
trimethylsilane | null | 993-07-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19701/7/4/2/?documentUUID=b97fb748-c412-4f1e-8725-5e76728b4248 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C[SiH](C)C | https://pubchem.ncbi.nlm.nih.gov/compound/70435 | PubChem | C[SiH](C)C | Train |
NZ_CCID:
3,5-Dinitrobenzoyl chloride | null | 99-33-2 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/42A7A118-D942-47EB-9B2E-063759012F7E | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/7432 | PubChem | O=C(Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 | Train |
JP_CHRIP:
tert-Amyl methyl ether [TAME or 2-methoxy-2-methylbentane] | JP_CHRIP:
1,1-Dimethyl propylmethyl ether
2-Methyl-2-methoxybutane
Butane, 2-methoxy-2-methyl-
Methyl-tert-pentyl ether
TAME
tert-Pentyl methyl ether | 994-05-8 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/15-mhlw-0020e.html | JP_CHRIP:
In a skin irritation test using rabbits (OECD TG 404, GLP compliance), 4-hour application with 500 micro L this substance (98.4%) resulted in the irritation score of 0, and it was judged to be not irritating (EU-RAR (2006)). From the above result, it was judged to be "Not classified." | Provided | JP_CHRIP | 1 | CCC(C)(C)OC | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J125.007H | J-GLOBAL | CCC(C)(C)OC | Train |
EU_REACH:
chlorotriethylsilane
NZ_CCID:
Chlorotriethylsilane | null | 994-30-9 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19870/7/4/2/?documentUUID=0376eda7-1481-43e3-a105-965f183d3948
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/12EB044C-011B-450A-B037-2351BF6AA3D1 | EU_REACH:
Experimental study (OECD TG 404, GLP)
NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | Provided | EU_REACH, NZ_CCID | 2 | CC[Si](CC)(CC)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/13819 | PubChem | CC[Si](Cl)(CC)CC | Train |
JP_CHRIP:
1,2-Dichloro-4-nitrobenzene | JP_CHRIP:
1,2-Dichloro-4-nitrobenzene
3,4-Dichloronitrobenzene
Benzene, 1,2-dichloro-4-nitro-
DCNB | 99-54-7 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/08-meti-0017e.html | JP_CHRIP:
Since the 24 hour skin irritation/corrosion test with rabbits (OECD TG 404, GLP) did not identify skin irritation (average scored values for erythema/crust and edema:0.2, 0.0) (SIDS (2003)), it was classified into "Not classified". | Provided | JP_CHRIP | 1 | [O-][N+](=O)c1ccc(Cl)c(Cl)c1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.584J | J-GLOBAL | O=[N+]([O-])c1ccc(Cl)c(Cl)c1 | Train |
EU_REACH:
1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide | null | 99591-74-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7762/7/4/2/?documentUUID=e8145276-df84-424d-8ad0-bc3ae18b5e65 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1OS(=O)(=O)CS(=O)(=O)O1 | https://pubchem.ncbi.nlm.nih.gov/compound/11600810 | PubChem | O=S1(=O)CS(=O)(=O)OCO1 | Train |
EU_REACH:
3,4,5-trifluorophenol | null | 99627-05-1 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/4466/7/4/2/?documentUUID=738c89d3-4675-48a2-aa3a-8b1832b39883 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=C(C=C(C(=C1F)F)F)O | https://pubchem.ncbi.nlm.nih.gov/compound/2777943 | PubChem | Oc1cc(F)c(F)c(F)c1 | Train |
EU_REACH:
dimethyl(propan-2-yl)amine | null | 996-35-0 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13880/7/4/2/?documentUUID=7425a16d-9690-43c5-990d-bb20be72b921 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)N(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/70452 | PubChem | CC(C)N(C)C | Train |
JP_CHRIP:
m-Dinitrobenzene | JP_CHRIP:
1,3-Dinitrobenzene
1,3-Dinitrobenzol
1,3-DNB
Benzene, 1,3-dinitro-
dinitrobenzene
m-Dinitrobenzene | 99-65-0 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/19-mhlw-2049e.html | JP_CHRIP:
[Rationale for the Classification]
Based on (1) and (2), it was classified as "Not classified."
[Evidence Data]
(1) In a skin irritation test with rabbits according to OECD TG 404, it revealed no irritation (GESTIS (Access on July 2019)).
(2) Although details were unknown, there is a report that no irritatio... | Provided | JP_CHRIP | 1 | [O-][N+](=O)c1cccc(c1)[N+](=O)[O-] | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.177K | J-GLOBAL | O=[N+]([O-])c1cccc([N+](=O)[O-])c1 | Train |
NZ_CCID:
Diethylaminotrimethylsilane | NZ_CCID:
N,N-diethyltrimethylsilylamine | 996-50-9 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/FF37B5D2-C349-4EE7-B15B-2363FF81881A | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CCN(CC)[Si](C)(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/70454 | PubChem | CCN(CC)[Si](C)(C)C | Train |
EU_REACH:
1,2,3-trichloro-12,24-dihydro-5H-naphtho[2,3-h]naphtho[2'',3'':6',7']indolo[2',3':6,7]anthra[2,1,9-mna]acridine-5,10,13,18,25-pentone | null | 99688-45-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24668/7/4/2/?documentUUID=e9988da8-b9fa-423f-a563-dcb52766b31c | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C5=CC6=C(C=C5N4)C(=O)C7=C8C6=C(C(=C9C8=C(C=C7)C1=C(N9Cl)C2=C(C=C1)C(=O)C1=CC=CC=C1C2=O)Cl)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/44147486 | PubChem | O=C1c2ccccc2C(=O)c2c1ccc1c2[nH]c2cc3c(=O)c4ccc5c6ccc7c(c6n(Cl)c6c(Cl)c(Cl)c(c3cc21)c4c56)C(=O)c1ccccc1C7=O | Train |
JP_CHRIP:
p-sec-Butylphenol | JP_CHRIP:
4-(1-methylpropyl)phenol
p-sec-butylphenol | 99-71-8 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0072e.html | JP_CHRIP:
In a test by a 4-hour semi-occlusive application of 0.5 mL of the undiluted solution of this substance liquefied by heating to the rabbit skin (GLP-compliant), all six animals showed necrosis, PII (primary irritation index) was 7.25, and it was concluded to be corrosive (HPVIS (2009)). Therefore, it was class... | null | JP_CHRIP | 1 | CCC(C)c1ccc(O)cc1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J362J | J-GLOBAL | CCC(C)c1ccc(O)cc1 | Train |
NZ_CCID:
2,4'-Dibromoacetophenone | null | 99-73-0 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/EF35CDD3-C8B4-41E2-9F8F-F6B499D9D2D1 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C1=CC(=CC=C1C(=O)CBr)Br | https://pubchem.ncbi.nlm.nih.gov/compound/7454 | PubChem | O=C(CBr)c1ccc(Br)cc1 | Train |
JP_CHRIP:
4-Isopropylaniline | JP_CHRIP:
4-isopropylaniline | 99-88-7 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/11-mhlw-0013e.html | JP_CHRIP:
On the basis of a result as "corrosive" in a test using rabbits (OECD TG 404: GLP) (IUCLID (2000), it was classified in Category 1. | Provided | JP_CHRIP | 1 | CC(C)c1ccc(N)cc1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.624F | J-GLOBAL | CC(C)c1ccc(N)cc1 | Train |
JP_CHRIP:
2-Hydroxypropyl acrylate
US_HSDB:
2-Hydroxypropyl acrylate | JP_CHRIP:
2-Propenoic acid, 2-hydroxypropyl ester
Acrylic acid, 2-hydroxypropyl ester
beta-Hydroxypropyl acrylate
Propylene glycol monoacrylate | 999-61-1 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/15-mhlw-0067e.html
US_HSDB: https://pubchem.ncbi.nlm.nih.gov/source/hsdb/7913 | JP_CHRIP:
It is reported that in a skin irritation test using rabbits, moderate edema and moderate to severe necrosis were observed after this substance (170 to 250 mg/kg) was locally applied, and moderate chemical burns were found after application of a 10% aqueous solution (ACGIH (7th, 2001)). Moreover, it is reporte... | null | JP_CHRIP, US_HSDB | 2 | CC(O)COC(=O)C=C | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.773K | J-GLOBAL | C=CC(=O)OCC(C)O | Train |
EU_REACH:
4-hydroxybenzoic acid | null | 99-96-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15944/7/4/2/?documentUUID=500bdcb0-2581-4d12-8cfb-3faea4b487c7 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC(=CC=C1C(=O)O)O | https://pubchem.ncbi.nlm.nih.gov/compound/135 | PubChem | O=C(O)c1ccc(O)cc1 | Train |
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