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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
EU_REACH:
heptylamine
NZ_CCID:
1-Heptanamine | null | 111-68-2 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/21376/7/4/2/?documentUUID=da3261b7-0bd2-491d-a298-98121729689b
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/3FDCD552-1EEB-4D8C-B7AE-6CC5FBF7A118 | EU_REACH:
Experimental study (OECD TG 404, GLP)
NZ_CCID:
Skin Irritation
R PHRASE: R 34 [CHEMWATCH]
Eye Irritation
R PHRASE: R 41 [CHEMWATCH] | Provided | EU_REACH, NZ_CCID | 2 | CCCCCCCN | https://pubchem.ncbi.nlm.nih.gov/compound/8127 | PubChem | CCCCCCCN | Train |
JP_CHRIP:
2-(2-Methoxyethoxy)ethanol (synonym: Diethylene glycol monomethyl ether) | JP_CHRIP:
DEGME | 111-77-3 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/ghs/21-meti-2009.html | JP_CHRIP:
【分類根拠】
（１）、（２）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 TG 404 相当、閉塞、4時間適用、72時間観察）において、皮膚刺激性はみられなかった（紅斑・痂皮スコア：0/0/0/0/0/0、浮腫スコア：0/0/0/0/0/0）との報告がある（EU RAR (2000)、AICIS IMAP (2013)、REACH登録情報 (Accessed July 2021)、Government of Canada, Hazadous Substance Assessement (2020)）。
（２）ウサギ、モルモットを用いたDraize試験において、... | Provided | JP_CHRIP | 1 | COCCOCCO | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.114D | J-GLOBAL | COCCOCCO | Train |
EU_REACH:
methyl undec-10-enoate | null | 111-81-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10072/7/4/2/?documentUUID=37d10816-0ce5-4a40-bd98-6a2464773183 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC(=O)CCCCCCCCC=C | https://pubchem.ncbi.nlm.nih.gov/compound/8138 | PubChem | C=CCCCCCCCCC(=O)OC | Train |
EU_REACH:
octan-1-amine
JP_CHRIP:
1-Octanamine
NZ_CCID:
Octylamine | NZ_CCID:
n-octylamine | 111-86-4 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/16566/7/4/2/?documentUUID=987529f3-c3c1-4ff0-bb68-5322adbe51d1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0007e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/49BD6... | EU_REACH:
Experimental study (OECD TG 404, GLP)
JP_CHRIP:
It was classified in Category 1 because it is reported that in an acute toxicity test by dermal administration to rabbits, necrosis was observed at the sites of application of this substance in the 200 mg/kg dose group during a 7-day observation period (RTECS (... | Provided | EU_REACH, JP_CHRIP, NZ_CCID | 3 | CCCCCCCCN | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.115B | J-GLOBAL | CCCCCCCCN | Train |
JP_CHRIP:
di-n-butylamine;
KR_NCIS:
Di-n-butylamine | JP_CHRIP:
di-n-butylamine
N-Butyl-1-butanamine
n-Dibutylamine
KR_NCIS:
Dibutylamine; N-Butyl-1-butanamine; N-Butylbutan-1-amine | 111-92-2 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/08-mhlw-0173e.html
KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances" | JP_CHRIP:
The classification was based on the description that the substance is found to be corrosive in Draize tests using rabbits (IUCLID (2000)). | null | JP_CHRIP, KR_NCIS | 2 | CCCCNCCCC | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.886J | J-GLOBAL | CCCCNCCCC | Train |
EU_REACH:
1,5-dimethyl pentanedioate | null | 1119-40-0 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5377/7/4/2/?documentUUID=e021234e-30db-497e-80e1-0dcf4c27823b | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC(=O)CCCC(=O)OC | https://pubchem.ncbi.nlm.nih.gov/compound/14242 | PubChem | COC(=O)CCCC(=O)OC | Train |
NZ_CCID:
5-Chlorovaleric acid | null | 1119-46-6 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/42FACE71-DC2A-4576-AC67-F1EB3D13E280 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C(CCCl)CC(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/14244 | PubChem | O=C(O)CCCCCl | Train |
JP_CHRIP:
Thiacloprid | null | 111988-49-9 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/ghs/21-meti-2010.html | JP_CHRIP:
【分類根拠】
（１）～（３）より、区分に該当しない。
【根拠データ】
（１）ウサギを用いた皮膚刺激性試験において、皮膚刺激性はみられなかったとの報告がある（食安委 農薬評価書 (2019)）。
（２）ウサギ（n=3）を用いた皮膚刺激性試験（OECD TG 404）において、非常に軽度の紅斑が全例でみられたが、適用後72時間以内にすべて回復した（紅斑・痂皮スコア：1/1/0、浮腫スコア：0/0/0）との報告がある（ECHA RAC Opinion (2015)、CLH Report (2013)）。
（３）本物質はウサギに対して皮膚刺激物ではない（JMPR Report (2006)）。 | Provided | JP_CHRIP | 1 | Clc1ccc(CN2CCSC2=NC#N)cn1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.459.101J | J-GLOBAL | N#CN=C1SCCN1Cc1ccc(Cl)nc1 | Train |
NZ_CCID:
Dioctylamine | null | 1120-48-5 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/107CAA4D-F41F-4FB7-B069-E122EE5D080C | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [CHEMWATCH]
Eye Irritation
R PHRASE: R 41 [CHEMWATCH] | null | NZ_CCID | 1 | CCCCCCCCNCCCCCCCC | https://pubchem.ncbi.nlm.nih.gov/compound/3094 | PubChem | CCCCCCCCNCCCCCCCC | Train |
NZ_CCID:
Trichlorooctadecylsilane | NZ_CCID:
octadecyltrichlorosilane | 112-04-9 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/CB495C1C-ED21-40AF-BE7C-03ADFFD919A2 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/8157 | PubChem | CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl | Train |
EU_REACH:
(R)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide | null | 112101-81-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/30158/7/4/2/?documentUUID=6427986c-cc44-4f80-96e2-adb0c20a46d7 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C[C@H](CC1=CC(=C(C=C1)OC)S(=O)(=O)N)N | https://pubchem.ncbi.nlm.nih.gov/compound/10060387 | PubChem | COc1ccc(C[C@@H](C)N)cc1S(N)(=O)=O | Train |
NZ_CCID:
Decanoyl chloride | null | 112-13-0 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/1D2D0EAE-9D70-48EC-A7CF-137C20E661EF | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CCCCCCCCCC(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/66982 | PubChem | CCCCCCCCCC(=O)Cl | Train |
NZ_CCID:
Lauroyl chloride | null | 112-16-3 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/219A2202-4420-421E-B98B-AB2B24BD2676 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CCCCCCCCCCCC(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/8166 | PubChem | CCCCCCCCCCCC(=O)Cl | Train |
AU_HCIS:
1-Dodecanamine, N,N-dimethyl-
EU_REACH:
dodecyldimethylamine
JP_CHRIP:
N,N-Dimethyldodecan-1-ylamine
NZ_CCID:
Dimethyldodecylamine | JP_CHRIP:
dodecyldimethylamine
lauryldimethylamine
N,N-dimethyldodecylamine
NZ_CCID:
1-Dodecanamine, N,N-dimethyl-, Genamin LA 302 D, N,N-dimethyl-1-dodecanamine, N,N-dimethyldodecylamine, N,N-dimethyllaurylamine, armeen dm-12d, dodecyldimethylamine, lauryldimethylamine, monolauryl dimethylamine, n-dodecyldimethylamin... | 112-18-5 | 1 | AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=5000
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14856/7/4/2/?documentUUID=dbc54309-bb73-4af9-810d-214ad44bea6c
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/18-meti-2005e.html
NZ_CCID: https://www.epa.... | EU_REACH:
Experimental study (OECD TG 404, GLP)
JP_CHRIP:
[Rationale for the Classification]
Based on (1)-(3), it was classified in Category 1 according to the GHS Classification Guidance for the Japanese Government. Besides, although Category 1A is suggested from the information in (2), sub-categorization was not con... | Provided | AU_HCIS, EU_REACH, JP_CHRIP, NZ_CCID | 4 | CCCCCCCCCCCCN(C)C | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.950A | J-GLOBAL | CCCCCCCCCCCCN(C)C | Train |
NZ_CCID:
Nonylamine | NZ_CCID:
n-nonylamine | 112-20-9 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/5347AC53-41F6-4BD4-A6CE-2D570D252F4E | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CCCCCCCCCN | https://pubchem.ncbi.nlm.nih.gov/compound/16215 | PubChem | CCCCCCCCCN | Train |
AU_HCIS:
3,6-diazaoctanethylenediamin
JP_CHRIP:
3,6-diazaoctanethylenediamin; triethylenetetramine
NZ_CCID:
Triethylenetetramine | AU_HCIS:
triethylenetetramine
1,2-Ethanediamine, N,N'-bis(2-aminoethyl)-
trientine
JP_CHRIP:
3,6-Diazaoctane-1,8-diamine
trientine
Triethylenetetramine
NZ_CCID:
1,4,7,10-Tetraazadecane, 1,8-Diamino-3,6-diazaoctane, 3,6-Diazaoctane-1,8-diamine, Araldite hardener HY 951, TETA, Tecza, Trien, Trientine | 112-24-3 | 1 | AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=1203
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/08-mhlw-0042e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/914A6290-E1D7-4845-A4B9-FE061289559A | JP_CHRIP:
In rabbit skin tests, the substance caused not only erythema and edema, but also necrosis in several tests (SIDS (1998)). Thus, the substance was classified into Category 1.
NZ_CCID:
Skin Irritation
SPECIES: Rabbit
RESULT:
Skin Irritation Grade 6. 6 = more necrosis from undiluted, less than edema from 10%.
R... | null | AU_HCIS, JP_CHRIP, NZ_CCID | 3 | NCCNCCNCCN | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.120I | J-GLOBAL | NCCNCCNCCN | Train |
EU_REACH:
2,6,6-trimethylcyclohex-2-ene-1,4-dione | null | 1125-21-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6062/7/4/2/?documentUUID=25e23680-51ca-4220-b652-161f64b27635 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=CC(=O)CC(C1=O)(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/62374 | PubChem | CC1=CC(=O)CC(C)(C)C1=O | Train |
AU_HCIS:
3,6,9-triazaundecamethylenediamine
JP_CHRIP:
3,6,9-triazaundecamethylenediamine; tetraethylenepentamine
NZ_CCID:
Tetraethylenepentamine | AU_HCIS:
tetraethylenepentamine
1,2-Ethanediamine, N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]-
JP_CHRIP:
1,11-Diamino-3,6,9-triazaundecane
3,6,9-Triazaundecane-1,11-diamine
TEPA
Tetraethylenepentamine
Tetrene | 112-57-2 | 1 | AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=4545
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/08-mhlw-0044e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/8F36AABA-11B0-4CDB-A52A-5BA52444ED0D | JP_CHRIP:
In several rabbit tests (Draize tests, etc.), exposure to the undiluted substance for 4 hours resulted in necrosis in half or more animals and the substance was concluded to be corrosive (SIDS (accessed in June 2008)). In addition, its EU Risk Phrase is "R34: corrosive" and its pH is >= 11.5. From these, the ... | null | AU_HCIS, JP_CHRIP, NZ_CCID | 3 | NCCNCCNCCNCCN | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.129B | J-GLOBAL | NCCNCCNCCNCCN | Train |
NZ_CCID:
Tetradecanoyl chloride | null | 112-64-1 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/9FCDB945-04F4-47A2-9B24-32ABD85A6C15 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [CHEMWATCH]
Eye Irritation
R PHRASE: R 41 [CHEMWATCH] | null | NZ_CCID | 1 | CCCCCCCCCCCCCC(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/66986 | PubChem | CCCCCCCCCCCCCC(=O)Cl | Train |
NZ_CCID:
Palmitoyl chloride | null | 112-67-4 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/CB410A6C-0C28-4EF3-9D2C-8C11B6F17EED | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CCCCCCCCCCCCCCCC(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/8206 | PubChem | CCCCCCCCCCCCCCCC(=O)Cl | Train |
EU_REACH:
1-[2-(2-butoxyethoxy)ethoxy]butane | null | 112-73-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5839/7/4/2/?documentUUID=a75bca5d-9bd3-4b29-b27a-e3e218dce05d | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCOCCOCCOCCCC | https://pubchem.ncbi.nlm.nih.gov/compound/8210 | PubChem | CCCCOCCOCCOCCCC | Train |
NZ_CCID:
Oleoyl chloride | null | 112-77-6 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/11029E3A-A995-4626-9CAA-E84C7EEE9196 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CCCCCCCC/C=C\CCCCCCCC(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/5364783 | PubChem | CCCCCCCC/C=C\CCCCCCCC(=O)Cl | Train |
AU_HCIS:
(Z)-octadec-9-enylamine
JP_CHRIP:
(Z)-9-Octadecen-1-amine; oleylamine
NZ_CCID:
Oleyl amine | AU_HCIS:
9-Octadecen-1-amine, (Z)-
JP_CHRIP:
(Z)-9-Octadecene-1-amine
(Z)-Octadec-9-en-1-ylamine | 112-90-3 | 1 | AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=4780
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0083e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/4D4A053D-3B5F-44F8-A629-523C7F2A07FE | JP_CHRIP:
It was classified in Category 1 because it is reported that necrosis was noted, and average Draize scores were 4.0 for both erythema and edema in a test by a 4-hour semi-occlusive application of 0.5 mL of the test substance to the rabbit skin (OECD TG 404), which was terminated for humane reasons (EU-RAR (200... | Provided | AU_HCIS, JP_CHRIP, NZ_CCID | 3 | CCCCCCCC/C=C\CCCCCCCCN | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J59.382F | J-GLOBAL | CCCCCCCC/C=C\CCCCCCCCN | Train |
JP_CHRIP:
Guanidine | JP_CHRIP:
Guanidine monohydrochloride | 113-00-8 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0084e.html | JP_CHRIP:
It was classified in Category 1 because it is described that the pH of a 20% aqueous solution of this substance was 13.5 (Ullmanns (E) (6th, 2003)). | null | JP_CHRIP | 1 | NC(=N)N | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.462G | J-GLOBAL | N=C(N)N | Train |
EU_REACH:
3-morpholin-4-ylpropane-1-sulfonic acid | null | 1132-61-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/21270/7/4/2/?documentUUID=5edc7b1e-e258-4b3e-8b0d-bc755d6eecc9 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1COCCN1CCCS(=O)(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/70807 | PubChem | O=S(=O)(O)CCCN1CCOCC1 | Train |
EU_REACH:
(2R)-5-cyclohexyl-2-methylpentan-1-ol; (2S)-5-cyclohexyl-2-methylpentan-1-ol | null | 1141487-54-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12526/7/4/2/?documentUUID=50687e9b-c1de-4dda-80ab-b6f75ef31d4c | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(CCCC1CCCCC1)CO | https://pubchem.ncbi.nlm.nih.gov/compound/44192644 | PubChem | CC(CO)CCCC1CCCCC1 | Train |
EU_REACH:
4'-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile | null | 114772-54-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/2706/7/4/2/?documentUUID=073f47ac-933f-43d6-b011-aad39b702593 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CBr | https://pubchem.ncbi.nlm.nih.gov/compound/1501912 | PubChem | N#Cc1ccccc1-c1ccc(CBr)cc1 | Train |
NZ_CCID:
Tribromoacetaldehyde | NZ_CCID:
Bromal | 115-17-3 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/FC7AC182-A3F5-48B4-A4DA-47EBD00497E9 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [CHEMWATCH]
Eye Irritation
R PHRASE: R 41 [CHEMWATCH] | null | NZ_CCID | 1 | C(=O)C(Br)(Br)Br | https://pubchem.ncbi.nlm.nih.gov/compound/8256 | PubChem | O=CC(Br)(Br)Br | Train |
JP_CHRIP:
Trichloroethylsilane
NZ_CCID:
Trichloroethylsilane | null | 115-21-9 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/09-mhlw-0091e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/5E1AF554-0C60-4EA6-8917-5928949022D5 | JP_CHRIP:
Based on results that attacked region blanches and blisters after application to the skin of rabbits and that the substance is strong irritant (HSDB (2003)), the substance was classified into Category 1.
NZ_CCID:
Skin Irritation
R PHRASE: R 34 [CHEMWATCH]
Eye Irritation
R PHRASE: R 41 [CHEMWATCH] | null | JP_CHRIP, NZ_CCID | 2 | CC[Si](Cl)(Cl)Cl | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.827J | J-GLOBAL | CC[Si](Cl)(Cl)Cl | Train |
EU_REACH:
N-(3-{1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]trisiloxan-3-yl}propyl)prop-2-enamide | null | 115258-10-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1845/7/4/2/?documentUUID=859bfad8-8741-4310-bd3c-3f32866035fa | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C[Si](C)(C)O[Si](CCCNC(=O)C=C)(O[Si](C)(C)C)O[Si](C)(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/16050379 | PubChem | C=CC(=O)NCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C | Train |
EU_REACH:
1-benzyl-N-phenylpiperidin-4-amine | null | 1155-56-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/23031/7/4/2/?documentUUID=45d50916-b094-4316-8c2b-d926cce09407 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1CN(CCC1NC2=CC=CC=C2)CC3=CC=CC=C3 | https://pubchem.ncbi.nlm.nih.gov/compound/70865 | PubChem | c1ccc(CN2CCC(Nc3ccccc3)CC2)cc1 | Train |
EU_REACH:
triphenyl phosphate
JP_CHRIP:
Triphenyl Phosphate | JP_CHRIP:
Phosphoric acid, triphenyl ester
TPP
Triphenylphosphate | 115-86-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15972/7/4/2/?documentUUID=abff226e-be6f-4b87-ab1f-c427d9b5e967
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/06-imcg-1000e.html | EU_REACH:
Experimental study (OECD TG 404, GLP)
JP_CHRIP:
From description that irritation was not admitted in the test applied to the skin of the rat for 4 hours on DFGOT (2 vol. 1991) and ACGIH (7th, 2001), it was carried out the outside of Category. | Provided | EU_REACH, JP_CHRIP | 2 | O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.469D | J-GLOBAL | O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 | Train |
JP_CHRIP:
Tris(2-chloroethyl) phosphate | JP_CHRIP:
Ethanol, 2-chloro-, phosphate (3:1)
TCEP
Tri(beta-chloroethyl) phosphate
Tris(2-chloroethyl) orthophosphate
tris(2-chloroethyl)phosphate | 115-96-8 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/16-meti-0012e.html | JP_CHRIP:
In two reports on skin irritation tests (OECD TG 404) using rabbits, it is reported that slight erythema was observed, but this resolved within 24 hours (EU-RAR (2009)). In addition, it is described that in a skin irritation test using rabbits, as the result of applying 0.5 mL of this substance for 4 hours un... | Provided | JP_CHRIP | 1 | ClCCOP(=O)(OCCCl)OCCCl | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.095I | J-GLOBAL | O=P(OCCCl)(OCCCl)OCCCl | Train |
EU_REACH:
methyl 1-(2-chloroacetyl)-2-oxo-2,3-dihydro-1H-indole-6-carboxylate | null | 1160293-25-3 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26465/7/4/2/?documentUUID=83b2bbd2-662e-42ac-9734-8761663d1e87 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC(=O)C1=CC2=C(CC(=O)N2C(=O)CCl)C=C1 | https://pubchem.ncbi.nlm.nih.gov/compound/42634136 | PubChem | COC(=O)c1ccc2c(c1)N(C(=O)CCl)C(=O)C2 | Train |
EU_REACH:
hexachloropropan-2-one | null | 116-16-5 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17343/7/4/2/?documentUUID=0dc9628b-4cad-4b06-af67-d81b5e5cd83d | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/8303 | PubChem | O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl | Train |
NZ_CCID:
2-Methylbutyric acid | null | 116-53-0 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/7F2DD93B-C132-4BFB-8960-83C145F6A991 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CCC(C)C(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/8314 | PubChem | CCC(C)C(=O)O | Train |
EU_REACH:
1,4-bis(mesitylamino)anthraquinone | null | 116-75-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5736/7/4/2/?documentUUID=db4b62d3-46d7-4889-97ef-71a724c00b96 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=CC(=C(C(=C1)C)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4C)C)C)C(=O)C5=CC=CC=C5C3=O)C | https://pubchem.ncbi.nlm.nih.gov/compound/61042 | PubChem | Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1 | Train |
EU_REACH:
methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate | null | 1168150-46-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27187/7/4/2/?documentUUID=cc2dbdf9-a473-473a-841b-57550a10a424 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CO/C(=C/1\C2=C(C=C(C=C2)C(=O)OC)NC1=O)/C3=CC=CC=C3 | https://pubchem.ncbi.nlm.nih.gov/compound/42634134 | PubChem | COC(=O)c1ccc2c(c1)NC(=O)/C2=C(/OC)c1ccccc1 | Train |
EU_REACH:
4-chloro-1,3-dihydro-2-benzofuran-1,3-dione | null | 117-21-5 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11567/7/4/2/?documentUUID=e6c0a0d5-dd5c-4032-b7e6-1a4b0a021f1e | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC2=C(C(=C1)Cl)C(=O)OC2=O | https://pubchem.ncbi.nlm.nih.gov/compound/67014 | PubChem | O=C1OC(=O)c2c(Cl)cccc21 | Train |
EU_REACH:
2-(naphthalene-2-sulfonamido)benzoic acid | null | 117309-52-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/23982/7/4/2/?documentUUID=01d7ab5c-6f8a-47e9-a11a-2d8469c71732 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC=CC=C3C(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/4798771 | PubChem | O=C(O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 | Train |
EU_REACH:
methyl (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]acrylate | null | 117428-22-5 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/21001/7/4/2/?documentUUID=349e85bc-f90d-4892-8207-a003afb591e1 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CO/C=C(\C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F)/C(=O)OC | https://pubchem.ncbi.nlm.nih.gov/compound/11285653 | PubChem | CO/C=C(/C(=O)OC)c1ccccc1COc1cccc(C(F)(F)F)n1 | Train |
EU_REACH:
Methyl-2-(2-chloromethylphenyl)-3-methoxy-2-acrylate | null | 117428-95-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11725/7/4/2/?documentUUID=e967bddc-7d24-4f00-8e87-91e69767ed1d | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CO/C=C(/C1=CC=CC=C1CCl)\C(=O)OC | https://pubchem.ncbi.nlm.nih.gov/compound/10130990 | PubChem | CO/C=C(\C(=O)OC)c1ccccc1CCl | Train |
EU_REACH:
2-[2-(carboxymethyl)phenoxy]-3,4-dimethylbenzoic acid | null | 117570-93-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/2727/7/4/2/?documentUUID=edda16c9-f94b-4696-a119-5846d400d09d | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C(=C(C=C1)C(=O)O)OC2=CC=CC=C2CC(=O)O)C | https://pubchem.ncbi.nlm.nih.gov/compound/14885557 | PubChem | Cc1ccc(C(=O)O)c(Oc2ccccc2CC(=O)O)c1C | Train |
JP_CHRIP:
Bis(2-ethylhexyl) phthalate | JP_CHRIP:
Bis(2-ethylhexyl) phthalate
Bis-(2-ethylhexyl)phthalate
DEHP
Di(2-ethylhexy)phthalate
Di(2-ethylhexyl) phthalate
Di(2-ethylhexyl)phthalate
di-2-ethylhexyl phthalate
Diethylhexyl phthalate
dioctyl benzene-1,2-dicarboxylate
Dioctyl phthalate
Dioctylphthalate
DOP; DEHP | 117-81-7 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/14-mhlw-2081e.html | JP_CHRIP:
There are 2 reports of skin irritation tests (OECD TG 404) with rabbits. In one study, neither erythema nor edema was observed, and the irritation score was 0 (EU-RAR (2003)). In the other study, although slight erythema (3/3 animals) at 1 hour after application, significant erythema (1/3 animals) at 24 hours... | Provided | JP_CHRIP | 1 | CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.909B | J-GLOBAL | CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC | Train |
EU_REACH:
N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide | null | 117827-06-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6149/7/4/2/?documentUUID=b0b6bcec-57f4-4f69-ae45-859a4752f0f9 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C(=C1O)Cl)CC)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/14344747 | PubChem | CCCCCCCCCCCCCCCC(=O)Nc1cc(Cl)c(CC)c(Cl)c1O | Train |
EU_REACH:
3-[(3R)-3-amino-2,3,4,9-tetrahydro-1H-carbazol-9-yl]propanoic acid | null | 1182722-58-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12204/7/4/2/?documentUUID=ce3e9b8c-c03f-4805-8ac7-cdc05d5bf9eb | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1CC2=C(C[C@@H]1N)C3=CC=CC=C3N2CCC(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/46928273 | PubChem | N[C@@H]1CCc2c(c3ccccc3n2CCC(=O)O)C1 | Train |
EU_REACH:
trans-5-butyl-2-(3',3'',4'',5''-tetrafluoro-1,1':4',1''-terphenyl-4-yl)-1,3-dioxane | null | 1182844-21-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/29749/7/4/2/?documentUUID=681ee1e5-13fa-4a70-a8de-02f217f299fa | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCC1COC(OC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)F)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/132042669 | PubChem | CCCCC1COC(c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1 | Train |
EU_REACH:
hexaphenoxy-1,3,5,2λ⁵,4λ⁵,6λ⁵-triazatriphosphinine | null | 1184-10-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/30500/7/4/2/?documentUUID=2b6d5add-28a9-4284-a647-9d182b19f902 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C(C=C1)OP2(=NP(=NP(=N2)(OC3=CC=CC=C3)OC4=CC=CC=C4)(OC5=CC=CC=C5)OC6=CC=CC=C6)OC7=CC=CC=C7 | https://pubchem.ncbi.nlm.nih.gov/compound/136917 | PubChem | c1ccc(OP2(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccccc3)=NP(Oc3ccccc3)(Oc3ccccc3)=N2)cc1 | Train |
EU_REACH:
5-chloro-1,3-dihydro-2-benzofuran-1,3-dione | null | 118-45-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12546/7/4/2/?documentUUID=d508a43e-401a-4f86-9f4a-9acb086633a2 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC2=C(C=C1Cl)C(=O)OC2=O | https://pubchem.ncbi.nlm.nih.gov/compound/67044 | PubChem | O=C1OC(=O)c2cc(Cl)ccc21 | Train |
EU_REACH:
4-(3,5-dichlorobenzamido)-3-hydroxybenzoic acid | null | 1184581-58-5 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27410/7/4/2/?documentUUID=6c2ec289-2390-485b-bdce-b97314f46345 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC(=C(C=C1C(=O)O)O)NC(=O)C2=CC(=CC(=C2)Cl)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/60825179 | PubChem | O=C(O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)c(O)c1 | Train |
EU_REACH:
1,4-diethyl 2-(2-oxopropyl)butanedioate | null | 1187-74-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1510/7/4/2/?documentUUID=d1ca5732-c110-4546-8901-d12c33bd3213 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCOC(=O)CC(CC(=O)C)C(=O)OCC | https://pubchem.ncbi.nlm.nih.gov/compound/5463816 | PubChem | CCOC(=O)CC(CC(C)=O)C(=O)OCC | Train |
EU_REACH:
1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone | null | 1190865-44-1 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/32348/7/4/2/?documentUUID=cbd17be7-29ac-45a8-ba17-20b98a1c2040 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=C(C=C(C(=C1Cl)F)Cl)C(=O)C(F)(F)F | https://pubchem.ncbi.nlm.nih.gov/compound/75530023 | PubChem | O=C(c1cc(Cl)c(F)c(Cl)c1)C(F)(F)F | Train |
EU_REACH:
3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid | null | 119-17-5 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13434/7/4/2/?documentUUID=7af4c05a-40b5-42fd-a96d-e79f14d129dd | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/67060 | PubChem | CC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)C1 | Train |
EU_REACH:
(3aS,3bR,9aS,9bR,11aS)-9a,11a-dimethyl-8-(morpholin-4-yl)-2-(pyrrolidin-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-diol | null | 119302-20-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7282/7/4/2/?documentUUID=b5120f69-1dfa-4c1c-99c5-7c47137ba9ff | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)N4CCCC4)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCOCC6)C | https://pubchem.ncbi.nlm.nih.gov/compound/16063873 | PubChem | C[C@]12C[C@H](N3CCOCC3)[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@@H](N3CCCC3)C[C@@H]12 | Train |
EU_REACH:
2-benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one
JP_CHRIP:
2-Benzyl-2-(N,N-dimethylamino)-1-(4-morpholinophenyl)butan-1-one | null | 119313-12-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1145/7/4/2/?documentUUID=c308d4e8-3e9a-41c1-a00b-bb2f082bb774
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/20-mhlw-0002e.html | EU_REACH:
Experimental study (OECD TG 404, GLP)
JP_CHRIP:
[Rationale for the Classification]
It was classified as "Not classified" from (1), (2).
[Evidence Data]
(1) No skin reactions were observed in a skin irritation test with rabbits according to OECD TG 404 (REACH registration dossier (Access on June 2020)).
(2) ... | Provided | EU_REACH, JP_CHRIP | 2 | CCC(Cc1ccccc1)(N(C)C)C(=O)c1ccc(cc1)N1CCOCC1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J261.950D | J-GLOBAL | CCC(Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C | Train |
KR_NCIS:
4,6-Dichloropyrimidine | null | 1193-21-1 | 1 | KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances" | null | null | KR_NCIS | 1 | C1=C(N=CN=C1Cl)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/70943 | PubChem | Clc1cc(Cl)ncn1 | Train |
EU_REACH:
6-hydroxypyrimidin-4(3H)-one | null | 1193-24-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5164/7/4/2/?documentUUID=90eac021-7cb1-48d4-91f4-06f7ce519f18 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=C(N=CNC1=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/14512 | PubChem | O=c1cc(O)nc[nH]1 | Train |
EU_REACH:
2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(morpholin-4-yl)phenyl]butan-1-one | null | 119344-86-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15616/7/4/2/?documentUUID=055fc99b-f8bb-4064-8461-21392930a973 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCC(CC1=CC=C(C=C1)C)(C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/22019755 | PubChem | CCC(Cc1ccc(C)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C | Train |
JP_CHRIP:
2,6-Dichlorobenzonitrile; Dichlobenil | JP_CHRIP:
2,6-Dichlorobenzonitrile
2,6-Dichlorophenylcyanide
DBN | 1194-65-6 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/19-mhlw-2041e.html | JP_CHRIP:
[Rationale for the Classification]
Based on (1)-(4), it was classified as "Not classified."
[Evidence Data]
(1) In a skin irritation test in which this substance (85.3% formulation) was administered to rabbits according to EPA TG81-5 (corresponding to OECD TG 404), it is reported not to be a dermal irritant ... | Provided | JP_CHRIP | 1 | Clc1cccc(Cl)c1C#N | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.365K | J-GLOBAL | N#Cc1c(Cl)cccc1Cl | Train |
EU_REACH:
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol | null | 119-47-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13380/7/4/2/?documentUUID=acbbd449-9b9e-4a13-8efd-cb8530505947 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O | https://pubchem.ncbi.nlm.nih.gov/compound/8398 | PubChem | Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 | Train |
EU_REACH:
diphenylmethanone
JP_CHRIP:
Benzophenone | JP_CHRIP:
Benzoylbenzene
Diphenyl ketone
Phenyl ketone | 119-61-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13823/7/4/2/?documentUUID=5e9a31d6-89a6-44b3-a490-d1f15501ac72
JP_CHRIP: https://www.nite.go.jp/chem/ghs/21-mhlw-2010.html | EU_REACH:
Experimental study (OECD TG 404, GLP)
JP_CHRIP:
【分類根拠】
（１）より、区分に該当しない。なお、新たな知見に基づき、分類結果を変更した。
【根拠データ】
（１）ウサギ（n=4）を用いた皮膚刺激性試験（OECD TG 404、GLP、2～100％（原液）、半閉塞、4時間適用、72時間観察）において、濃度100％まで皮膚刺激性の徴候は認められなかったとの報告がある（AICIS IMAP (2015)、REACH登録情報 (Accessed Dec. 2021)）。 | Provided | EU_REACH, JP_CHRIP | 2 | O=C(c1ccccc1)c1ccccc1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.481C | J-GLOBAL | O=C(c1ccccc1)c1ccccc1 | Train |
EU_REACH:
1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone | null | 119851-28-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/2113/7/4/2/?documentUUID=3e861be4-4e9e-4d56-89b6-e094e09dbd15 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(=O)C1=C(C=C(C=C1)OC2=CC=C(C=C2)Cl)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/677479 | PubChem | CC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1Cl | Train |
KR_NCIS:
3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-diamine | KR_NCIS:
3,3'-Dimethoxybenzidine | 119-90-4 | 1 | KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances" | null | null | KR_NCIS | 1 | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N | https://pubchem.ncbi.nlm.nih.gov/compound/8411 | PubChem | COc1cc(-c2ccc(N)c(OC)c2)ccc1N | Train |
EU_REACH:
4-(4-hydroxybenzoyloxy)-3-methylphenyl 4-hydroxybenzoate | null | 119959-84-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/33665/7/4/2/?documentUUID=026b0aab-161d-435f-bbdb-6ab724102de8 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O | https://pubchem.ncbi.nlm.nih.gov/compound/10992120 | PubChem | Cc1cc(OC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccc(O)cc1 | Train |
EU_REACH:
480-680-7 | null | 120128-90-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13705/7/4/2/?documentUUID=1503ef99-75ae-454c-882e-2968022b13ea | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C[N+](C)(CCCNC=O)CC(=O)[O-] | https://pubchem.ncbi.nlm.nih.gov/compound/5287757 | PubChem | C[N+](C)(CCCNC=O)CC(=O)[O-] | Train |
EU_REACH:
3-amino-4-methoxy-N-phenylbenzamide | null | 120-35-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11279/7/4/2/?documentUUID=1b8e5b99-8ae3-4a31-848c-da5b45a24817 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N | https://pubchem.ncbi.nlm.nih.gov/compound/8426 | PubChem | COc1ccc(C(=O)Nc2ccccc2)cc1N | Train |
EU_REACH:
benzyl benzoate
JP_CHRIP:
benzyl benzoate | JP_CHRIP:
Benzoic acid, phenylmethyl ester
Benzyl benzenecarboxylate | 120-51-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13634/7/4/2/?documentUUID=f0f6e844-bd09-4c6b-a62d-097bc9b901b2
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/08-mhlw-0178e.html | EU_REACH:
Experimental study (OECD TG 404, GLP)
JP_CHRIP:
In Draize tests using rabbits, the average scores of the treated animals that received 4-hour applications of this substance for 3 days were 0 to 1.58 (ECETOC TR 66 (1995)). Based on these results, the substance was classified into the "Not classified" category... | Provided | EU_REACH, JP_CHRIP | 2 | O=C(OCc1ccccc1)c1ccccc1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.327I | J-GLOBAL | O=C(OCc1ccccc1)c1ccccc1 | Train |
EU_REACH:
2-[2-(benzoyloxy)ethoxy]ethyl benzoate | null | 120-55-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5156/7/4/2/?documentUUID=b5c20315-fe6b-4262-ad93-9eb0db0cab85 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C(C=C1)C(=O)OCCOCCOC(=O)C2=CC=CC=C2 | https://pubchem.ncbi.nlm.nih.gov/compound/8437 | PubChem | O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1 | Train |
JP_CHRIP:
Dimethyl terephthalate | JP_CHRIP:
Dimethyl 1,4-benzenedicarboxylate
Dimethyl p-phthalate | 120-61-6 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/ghs/21-mhlw-2007.html | JP_CHRIP:
【分類根拠】
（１）～（３）より、区分に該当しない（国連分類基準の区分3）。
【根拠データ】
（１）モルモットを用いた皮膚刺激性試験において、軽度の刺激性を示したとの報告がある（NITE初期リスク評価書 (2008)）。
（２）ウサギ（n = 6）を用いた皮膚刺激性試験（OECD TG 404相当、半閉塞、4時間適用、72時間観察）において、皮膚一次刺激指数（PII）は0であった（紅斑・痂皮スコア：0/0/0/0/0/0、浮腫スコア：0/0/0/0/0/0）との報告がある（REACH登録情報 (Accessed Nov. 2021)）。
（３）ウサギを用いた皮膚刺激性試験（4時間適用、24時間観察）において、観... | Provided | JP_CHRIP | 1 | COC(=O)c1ccc(cc1)C(=O)OC | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.003F | J-GLOBAL | COC(=O)c1ccc(C(=O)OC)cc1 | Train |
EU_REACH:
3-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione | null | 1207-75-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/22543/7/4/2/?documentUUID=5578c8ff-4520-43d8-837c-8a517c19c62c | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCO | https://pubchem.ncbi.nlm.nih.gov/compound/71016 | PubChem | O=c1[nH]c2ccccc2c(=O)n1CCO | Train |
EU_REACH:
N-methyl-1-(trans-4-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexyl)methanesulfonamide | null | 1208319-26-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/32698/7/4/2/?documentUUID=5ab3230a-d471-4185-914a-7821f0618c40 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CNS(=O)(=O)CC1CCC(CC1)N(C)C2=NC=NC3=C2C=CN3 | https://pubchem.ncbi.nlm.nih.gov/compound/44631938 | PubChem | CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1 | Train |
JP_CHRIP:
2,4-Dichlorophenol
NZ_CCID:
2,4-Dichlorophenol | JP_CHRIP:
2,4-DCP
Phenol, 2,4-dichloro- | 120-83-2 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/16-meti-0013e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/31BDD982-C6FC-4700-A595-FEF5B93A0560 | JP_CHRIP:
It is reported that strong irreversible necrosis was observed after applying this substance (80% aqueous solution) to rabbit skin for 15 minutes (SIDS (2008)). In addition, many cases of deaths of workers exposed to this substance were reported (SIDS (2008), Environmental Risk Assessment for Chemical Substanc... | null | JP_CHRIP, NZ_CCID | 2 | Oc1ccc(Cl)cc1Cl | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.005B | J-GLOBAL | Oc1ccc(Cl)cc1Cl | Train |
KR_NCIS:
1-Methylpyrrolidine | null | 120-94-5 | 1 | KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances" | null | null | KR_NCIS | 1 | CN1CCCC1 | https://pubchem.ncbi.nlm.nih.gov/compound/8454 | PubChem | CN1CCCC1 | Train |
EU_REACH:
2-Chloro-1-(1-chlorocyclopropyl)ethanone | null | 120983-72-4 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/9302/7/4/2/?documentUUID=54bc83d5-8e31-4a70-a1c0-0c26cb0fa45e | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1CC1(C(=O)CCl)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/11062580 | PubChem | O=C(CCl)C1(Cl)CC1 | Train |
JP_CHRIP:
2-Methyl-5-nitrobenzenesulfonic acid | JP_CHRIP:
2-methyl-5-nitrobenzenesulfonic acid | 121-03-9 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0086e.html | JP_CHRIP:
It is reported that it was moderately irritating in a test in which 20 mg of this substance was applied to the rabbit skin for 24 hours (IUCLID (2000), RTECS (1997)), but it was classified in Category 1 from the knowledge that the pH of an aqueous solution (100 g/L) of this substance was less than 1 (IUCLID (... | null | JP_CHRIP | 1 | Cc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-] | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.070F | J-GLOBAL | Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O | Train |
EU_REACH:
1-ethoxy-2,3-difluorobenzene | null | 121219-07-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/22555/7/4/2/?documentUUID=1ccbfe49-5d7a-476d-82ca-f6177223fe75 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCOC1=C(C(=CC=C1)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/2782928 | PubChem | CCOc1cccc(F)c1F | Train |
AU_HCIS:
triethylamine
JP_CHRIP:
Triethylamine
KR_NCIS:
Triethylamine
NZ_CCID:
Ethanamine, N,N-diethyl-
US_HSDB:
TRIETHYLAMINE | AU_HCIS:
Ethanamine, N,N-diethyl-
JP_CHRIP:
N,N-Diethylethanamine
KR_NCIS:
N,N-Diethylethanamine
NZ_CCID:
(Diethylamino)ethane, TEA, Triethylamine, n,n-Diethylethanamine | 121-44-8 | 1 | AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=4580
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/16-mhlw-0118e.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-in... | JP_CHRIP:
In a skin irritation test using rabbits under occlusive application for 3 minutes, 1 hour or 4 hours, it was found to be corrosive (DFGOT Vol.13 (1999)). Therefore, this substance was classified in Category 1.
NZ_CCID:
Skin Irritation
R-PHRASE: R 35 Causes severe burns. [IUCLID 2000]
Eye Irritation
SPECIES: ... | null | AU_HCIS, JP_CHRIP, KR_NCIS, NZ_CCID, US_HSDB | 5 | CCN(CC)CC | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.485F | J-GLOBAL | CCN(CC)CC | Train |
EU_REACH:
4-methanesulfonyl-2-(trifluoromethyl)benzaldehyde | null | 1215310-75-0 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27232/7/4/2/?documentUUID=1d540db8-6860-476c-99e4-1d4927980fc6 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CS(=O)(=O)C1=CC(=C(C=C1)C=O)C(F)(F)F | https://pubchem.ncbi.nlm.nih.gov/compound/51342018 | PubChem | CS(=O)(=O)c1ccc(C=O)c(C(F)(F)F)c1 | Train |
EU_REACH:
(1r,4r)-N1,N1,N4,N4-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide | null | 1215841-86-3 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5440/7/4/2/?documentUUID=37975966-991f-4aa2-9b8c-8b61d1d30bd8 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1CC(CCC1C(=O)N(CCO)CCO)C(=O)N(CCO)CCO | https://pubchem.ncbi.nlm.nih.gov/compound/58434361 | PubChem | O=C(C1CCC(C(=O)N(CCO)CCO)CC1)N(CCO)CCO | Train |
NZ_CCID:
4-Acetamidobenzenesulphonyl chloride | NZ_CCID:
N-acetylsulfanilyl chloride | 121-60-8 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/1ECCEC52-E782-484C-AE66-CBA9069E87F9 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/8481 | PubChem | CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1 | Train |
EU_REACH:
9-[(3,3'-di-tert-butyl-2'-{8,10-dioxa-9-phosphatricyclo[9.4.0.0²,⁷]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-yloxy}-5,5'-dimethoxy-[1,1'-biphenyl]-2-yl)oxy]-8,10-dioxa-9-phosphatricyclo[9.4.0.0²,⁷]pentadeca-1(11),2(7),3,5,12,14-hexaene | null | 121627-17-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12308/7/4/2/?documentUUID=7c029f5e-a96b-45e4-9a4a-3758f6009c89 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)(C)C1=CC(=CC(=C1OP2OC3=CC=CC=C3C4=CC=CC=C4O2)C5=C(C(=CC(=C5)OC)C(C)(C)C)OP6OC7=CC=CC=C7C8=CC=CC=C8O6)OC | https://pubchem.ncbi.nlm.nih.gov/compound/10865829 | PubChem | COc1cc(-c2cc(OC)cc(C(C)(C)C)c2Op2oc3ccccc3c3ccccc3o2)c(Op2oc3ccccc3c3ccccc3o2)c(C(C)(C)C)c1 | Train |
AU_HCIS:
Benzenesulfonic acid, 4-dodecyl- | null | 121-65-3 | 1 | AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=4887 | null | null | AU_HCIS | 1 | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/8485 | PubChem | CCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1 | Train |
EU_REACH:
2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethan-1-one | null | 121776-33-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7356/7/4/2/?documentUUID=cedd60ea-7013-42a2-ae58-6debacb290c5 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1(N(CC(O1)C2=CC=CO2)C(=O)C(Cl)Cl)C | https://pubchem.ncbi.nlm.nih.gov/compound/86187 | PubChem | CC1(C)OC(c2ccco2)CN1C(=O)C(Cl)Cl | Train |
JP_CHRIP:
Hexahydro-1,3,5-trinitro-1,3,5-triazine (with 15% water, by mass) | JP_CHRIP:
1,3,5-Triaza-1,3,5-trinitrocyclohexane
Cyclonite
Cyclotrimethylenetrinitramine
Hexahydro-1,3,5-trinitro-1,3,5-triazine
Hexogen
RDX
RDX (Royal Demolition Explosive) | 121-82-4 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/19-mhlw-2037e.html | JP_CHRIP:
[Rationale for the Classification]
Based on (1), it was classified as "Not classified." Besides, the category was changed, since new data were obtained.
[Evidence Data]
(1) In a skin irritation test with rabbits equivalent or similar to OECD TG 404, the number of animals whose scores were 1 or above consecut... | Provided | JP_CHRIP | 1 | [O-][N+](=O)N1CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-] | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.346E | J-GLOBAL | O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1 | Train |
EU_REACH:
2-chloro-1-methyl-4-nitrobenzene | null | 121-86-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1542/7/4/2/?documentUUID=efe61ba0-d389-4a51-9bb7-08d4fd5a0b37 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C=C(C=C1)[N+](=O)[O-])Cl | https://pubchem.ncbi.nlm.nih.gov/compound/8491 | PubChem | Cc1ccc([N+](=O)[O-])cc1Cl | Train |
NZ_CCID:
4-Nitrobenzoyl chloride | null | 122-04-3 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/1F70CA0D-4102-4E3F-A3EC-2619F1D31B9D | 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)Cl)[N+](=O)[O-] | https://pubchem.ncbi.nlm.nih.gov/compound/8502 | PubChem | O=C(Cl)c1ccc([N+](=O)[O-])cc1 | Train |
EU_REACH:
O,O-dimethyl O-3-methyl-4-nitrophenyl phosphorothioate
JP_CHRIP:
O,O-Dimethyl-O-(3-methyl-4-nitrophenyl) thiophosphate [Fenitrothion] | JP_CHRIP:
Fenitrothion
O,O'-dimethyl-O-(3-methyl-4-nitrophenyl) monothiophosphate
O,O'-Dimethyl-O-(3-methyl-4-nitrophenyl)phosphorothioate
O,O-Dimethyl O-3-methyl-4-nitrophenyl phosphorothioate
O,O-Dimethyl O-4-nitro-m-tolyl phosphorothioate
O,O-Dimethyl O-4-nitro-m-tolyl thiophosphate
O,O-Dimethyl-O-(3-methyl-4-nitrop... | 122-14-5 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27782/7/4/2/?documentUUID=efd959b1-f517-4b3e-b2ee-82f05036fee8
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/17-mhlw-2076e.html | EU_REACH:
Experimental study (OECD TG 404, GLP)
JP_CHRIP:
Based on a report that skin irritation was not observed in a skin irritation test with rabbits (EHC 133 (1992), Risk Assessment Report (Pesticides and Veterinary Medicinal Products) (Food Safety Commission of Japan, 2014)), it was classified as "Not classified.... | Provided | EU_REACH, JP_CHRIP | 2 | COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-] | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.492I | J-GLOBAL | COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1 | Train |
EU_REACH:
3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-naphthamide | null | 12225-06-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13914/7/4/2/?documentUUID=b3d41585-a0af-42b5-bcd4-723bc1697f3c | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COc1ccc(cc1N\N=C2/C(=O)C(=Cc3ccccc23)C(=O)Nc4ccc5NC(=O)Nc5c4)C(=O)Nc6ccccc6 | https://cactus.nci.nih.gov/chemical/structure/12225-06-8/smiles | CACTUS | COc1ccc(C(=O)Nc2ccccc2)cc1N/N=C1\C(=O)C(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)=Cc2ccccc21 | Train |
EU_REACH:
N-(4-chloro-2,5-dimethoxyphenyl)-2-{[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl}-3-oxobutanamide | null | 12225-18-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11078/7/4/2/?documentUUID=286f124c-4bfa-47eb-b7d5-81bc70834824 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(=O)C(C(=O)NC1=CC(=C(C=C1OC)Cl)OC)N=NC2=CC(=C(C=C2OC)S(=O)(=O)NC3=CC=CC=C3)OC | https://pubchem.ncbi.nlm.nih.gov/compound/61559 | PubChem | COc1cc(NC(=O)C(N=Nc2cc(OC)c(S(=O)(=O)Nc3ccccc3)cc2OC)C(C)=O)c(OC)cc1Cl | Train |
EU_REACH:
N-(4-acetamidophenyl)-4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-2-naphthamide | null | 12236-64-5 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10624/7/4/2/?documentUUID=6892ac2e-658d-4d03-a82d-fde7d2bfdedd | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C(=O)N)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/82995 | PubChem | CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(N)=O)ccc3Cl)c2O)cc1 | Train |
JP_CHRIP:
Triethoxymethane | JP_CHRIP:
Ethyl orthoformate | 122-51-0 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/09-mhlw-0105e.html | JP_CHRIP:
Based on a result of "not irritating" in a rabbit test (OECD TG404 (GLP)) (IUCLID (2000)), the substance was classified as "Not classified". | Provided | JP_CHRIP | 1 | CCOC(OCC)OCC | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.533F | J-GLOBAL | CCOC(OCC)OCC | Train |
JP_CHRIP:
Triethyl phosphite | JP_CHRIP:
Phosphorous acid, triethyl ester | 122-52-1 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/09-mhlw-0005e.html | JP_CHRIP:
Based on results of "slightly irritating" (PDII: 1.4) in a rabbit test (OECD TG404) (SIDS (2003)) and "mildly irritating" (PDII: 1.7) in another rabbit Draize test (SIDS (2003)), the substance was classified as "Not classified" in JIS Classification (correspond to Category 3 in GHS classification). | Provided | JP_CHRIP | 1 | CCOP(OCC)OCC | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.007I | J-GLOBAL | CCOP(OCC)OCC | Train |
NZ_CCID:
Cyclohexanone peroxide, 30-60%, 30-60% dibutyl phthalate, 10-30% ethyl acetate | NZ_CCID:
Cyclohexanone peroxide | 12262-58-7 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/BFC446A9-880E-4187-8708-5DF6B980A43A | NZ_CCID:
Skin Irritation
R-PHRASE: R 34 Causes Burns. [N-Class]
Eye Irritation
SPECIES: Rabbit
RESULT: Severe
REFERENCE SOURCE: [Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. (8,25,1958)] [RTECS] | null | NZ_CCID | 1 | C1CCC(CC1)(O)OOC2(CCCCC2)OO | https://pubchem.ncbi.nlm.nih.gov/compound/6521 | PubChem | OOC1(OOC2(O)CCCCC2)CCCCC1 | Train |
EU_REACH:
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl methacrylate | null | 1228350-17-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18171/7/4/2/?documentUUID=ba69bd97-7c66-452a-888c-5fbb792423ca | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(=C)C(=O)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F | https://pubchem.ncbi.nlm.nih.gov/compound/19098704 | PubChem | C=C(C)C(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | Train |
EU_REACH:
3-octyl-1-[4-({4-[(octylcarbamoyl)amino]phenyl}methyl)phenyl]urea | null | 122886-55-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/16583/7/4/2/?documentUUID=a47fcfce-f39a-4f64-a226-911cb22f8936 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCCCCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCCCCCCCC | https://pubchem.ncbi.nlm.nih.gov/compound/14299396 | PubChem | CCCCCCCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCCCCCCCC)cc2)cc1 | Train |
EU_REACH:
4-(4-iodo-1H-pyrazol-1-yl)piperidine | null | 1229457-94-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5524/7/4/2/?documentUUID=3d776ce8-229b-4ae8-ba55-b87b733b64b1 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1CNCCC1N2C=C(C=N2)I | https://pubchem.ncbi.nlm.nih.gov/compound/53256681 | PubChem | Ic1cnn(C2CCNCC2)c1 | Train |
EU_REACH:
3-morpholin-4-ylpropan-1-amine
NZ_CCID:
4-Morpholinepropanamine | NZ_CCID:
(3-Aminopropyl)morpholine, 1-Amino-3-morpholinopropane, 3-Morpholinopropanamine, 3-Morpholinopropylamine, 4-(3-Aminopropyl)morpholine, Morpholine, 4-(3-aminopropyl)- (8CI), Morpholine, 4-aminopropyl-, Morpholine, N-aminopropyl-, N-(3-Aminopropyl)morpholine, N-Aminopropylmorpholine, gamma-Morpholinopropylamine | 123-00-2 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24742/7/4/2/?documentUUID=6d8b456b-10a7-4a35-9942-a0fe7f5ef67a
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/4EAC4513-4CEC-4A78-9CB8-F5B140AB94F3 | EU_REACH:
Experimental study (OECD TG 404, GLP)
NZ_CCID:
Skin Irritation
SPECIES: Rabbit
RESULT: Extremely irritating/ Corrosive
REFERENCE SOURCE: (http://www.huntsman.com/performance_chemicals/Media/APM.pdf)
Eye Irritation
SPECIES: Rabbit
RESULT: Extremely irritating/ Corrosive
REFERENCE SOURCE: (http://www.huntsman.... | Provided | EU_REACH, NZ_CCID | 2 | C1COCCN1CCCN | https://pubchem.ncbi.nlm.nih.gov/compound/61055 | PubChem | NCCCN1CCOCC1 | Train |
EU_REACH:
14,14',15,15'-tetradehydro-7,7'-spirobi[dibenzo[b,g][1,9,4,6]dioxadiazacyclododecine] | null | 1231148-36-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6054/7/4/2/?documentUUID=378da222-d36f-4739-a917-65aa83fe80d1 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1C2(COC3=CC=CC=C3N=C=NC4=CC=CC=C4O1)COC5=CC=CC=C5N=C=NC6=CC=CC=C6OC2 | https://pubchem.ncbi.nlm.nih.gov/compound/58434418 | PubChem | C1=Nc2ccccc2OCC2(COc3ccccc3N=1)COc1ccccc1N=C=Nc1ccccc1OC2 | Train |
EU_REACH:
4-[(3-carboxypropanoyl)peroxy]-4-oxobutanoic acid | null | 123-23-9 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24749/7/4/2/?documentUUID=84c9b78d-2fa5-49a9-95c5-086fa74344d0 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C(CC(=O)OOC(=O)CCC(=O)O)C(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/31248 | PubChem | O=C(O)CCC(=O)OOC(=O)CCC(=O)O | Train |
EU_REACH:
1,4-diethyl butanedioate | null | 123-25-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27981/7/4/2/?documentUUID=c266f723-64cd-466a-b644-0e18b70e9dfe | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCOC(=O)CCC(=O)OCC | https://pubchem.ncbi.nlm.nih.gov/compound/31249 | PubChem | CCOC(=O)CCC(=O)OCC | Train |
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