Name
stringlengths
14
548
Synonym
stringlengths
14
790
CAS RN
stringlengths
7
12
Y
class label
2 classes
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: p-Nitrochlorobenzene
JP_CHRIP: p-Chloronitrobenzene 1-Chloro-4-nitrobenzene Benzene, 1-chloro-4-nitro- Chloronitrobenzenes p-Chloronitrobenzene PCNB PNCB
100-00-5
0NC
JP_CHRIP: https://www.nite.go.jp/chem/ghs/21-mhlw-2013.html
JP_CHRIP: 【分類根拠】 (1)、(2)より、区分に該当しない(国連分類基準の区分3)とした。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= 6)を用いた皮膚刺激性試験(OECD TG 404、GLP、閉塞、24時間適用、8日間観察)において、パッチ除去24及び72時間後の全例の平均スコアは、紅斑ではいずれも0、浮腫では2.17及び1.0であった。48時間値は欠測のため、24時間値と同じと仮定して求めた24/48/72時間の全体の平均スコアは紅斑で0.0、浮腫で1.8であった。本物質は軽微な (slightly) 刺激性を有するとの報告がある(AICIS IMAP (2016)、SIAR (2002)、CERI 有害性評価書 (2008)、REACH登録情報 (Accessed Dec. 2021))。 (2)ウサギ(n= 6)を用いた皮膚刺激性試験(OECD TG 404、GLP、原体500 mg、24時間閉塞、72時間観察)において、無傷皮膚では紅斑はみられず、軽微な浮腫(フルスコア4:2.17/4)、有傷皮膚では軽微な紅斑(0.17/4)と軽微な浮腫(1.67/4)がみられ、72時間後には消失した。皮膚刺激指数は0.1(最高8)と算出され、本物質は軽微な (slightly) 刺激性を有するとの報告がある(AICIS IMAP (2016)、SIAR (2002)、REACH登録情報 (Accessed Dec. 2021))。
Provided
JP_CHRIP
1
[O-][N+](=O)c1ccc(Cl)cc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.586F
J-GLOBAL
O=[N+]([O-])c1ccc(Cl)cc1
Train
NZ_CCID: 4-Methoxybenzoyl chloride
NZ_CCID: p-anisoyl chloride
100-07-2
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/F8EBA1DF-D76D-47F8-B71E-53EFD7A5E5E9
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
COC1=CC=C(C=C1)C(=O)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/7477
PubChem
COc1ccc(C(=O)Cl)cc1
Train
EU_REACH: butyl N-[(butylsulfanyl)methanethioyl]carbamate
null
1001320-38-2
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6482/7/4/2/?documentUUID=b26381a5-2bfb-4410-adef-8d80c8972445
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CCCCOC(=O)NC(=S)SCCCC
https://pubchem.ncbi.nlm.nih.gov/compound/87668466
PubChem
CCCCOC(=O)NC(=S)SCCCC
Train
NZ_CCID: 4-Nitrobenzyl chloride
null
100-14-1
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/1510B53F-7AAE-42B1-A0B1-7A4B8637026C
NZ_CCID: Skin Irritation R PHRASE: R 34 [CHEMWATCH] Eye Irritation R PHRASE: R 41 [CHEMWATCH]
null
NZ_CCID
1
C1=CC(=CC=C1CCl)[N+](=O)[O-]
https://pubchem.ncbi.nlm.nih.gov/compound/7482
PubChem
O=[N+]([O-])c1ccc(CCl)cc1
Train
EU_REACH: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-5,10,15,20,25,30-Hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxahe ptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
null
10016-20-3
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10199/7/4/2/?documentUUID=2e64379f-4aa8-4991-be4c-a0e4ca0a4ad6
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O
https://pubchem.ncbi.nlm.nih.gov/compound/444913
PubChem
OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO
Train
JP_CHRIP: Terephthaloyl dichloride NZ_CCID: Terephthaloyl dichloride
JP_CHRIP: 1.4-benzenedicarbonyl dichloride p-phenylenedicarbonyl dichloride terephthalic acid dichloride terephthalyl dichloride NZ_CCID: terephthaloyl chloride
100-20-9
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0074e.html NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/3415792D-6F89-47E8-B3EB-6F93BCA3F575
JP_CHRIP: The substance was classified in Category 1 because it is described that it is a skin irritant (HSDB (2003)), and there is a description of pH < 0.5 (MSDS (Merck, 2010)). NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
JP_CHRIP, NZ_CCID
2
ClC(=O)c1ccc(cc1)C(=O)Cl
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.979D
J-GLOBAL
O=C(Cl)c1ccc(C(=O)Cl)cc1
Train
NZ_CCID: Cyclopentylamine
null
1003-03-8
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/25576493-C465-4795-BDD8-E97FB52607E5
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
C1CCC(C1)N
https://pubchem.ncbi.nlm.nih.gov/compound/2906
PubChem
NC1CCCC1
Train
EU_REACH: 1-butoxy-4-[4-(trans-4-ethylcyclohexyl)-1-cyclohexen-1-yl]-2,3-difluorobenzene
null
1003218-33-4
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/28033/7/4/2/?documentUUID=9293756a-8d9d-48f0-9bab-e779b47322a2
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CCCCOC1=C(C(=C(C=C1)C2=CCC(CC2)C3CCC(CC3)CC)F)F
https://pubchem.ncbi.nlm.nih.gov/compound/147298660
PubChem
CCCCOc1ccc(C2=CCC(C3CCC(CC)CC3)CC2)c(F)c1F
Train
EU_REACH: 4-methyl-1,3-oxazole-5-carbonitrile
null
1003-52-7
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/30440/7/4/2/?documentUUID=a056d498-e826-41c0-8f0c-0c3878e29a29
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC1=C(OC=N1)C#N
https://pubchem.ncbi.nlm.nih.gov/compound/70480
PubChem
Cc1ncoc1C#N
Train
JP_CHRIP: N,N-Diethylenediamine NZ_CCID: 2-Aminoethyldiethylamine
JP_CHRIP: 1-Amino-2-(N,N-diethylamino)ethane NZ_CCID: N,N-diethylethylenediamine
100-36-7
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/09-mhlw-0148e.html NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/97B2A5DA-AE60-41B7-9155-AB34A9F616E2
JP_CHRIP: Since a solution of the substance has a pH of 11.6 (20 degC, 10 g/L) (GESTIS (access on Oct. 2009)), the substance was classified into Category 1. NZ_CCID: Skin Irritation UN CLASS: 8; 3; Packing Group II
null
JP_CHRIP, NZ_CCID
2
CCN(CC)CCN
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J25.753B
J-GLOBAL
CCN(CC)CCN
Train
AU_HCIS: Ethanol, 2-(diethylamino)- JP_CHRIP: Ethanol, 2-(diethylamino)- NZ_CCID: 2-Diethylaminoethanol
AU_HCIS: 2-diethylaminoethanol N,N-diethylethanolamine JP_CHRIP: 2-(Diethylamino)ethanol 2-Diethylaminoethyl alcohol DEAE N,N-Diethylethanolamine NZ_CCID: (2-Hydroxyethyl)diethylamine, 2-(Diethylamino)ethanol, 2-(Diethylamino)ethyl alcohol, 2-(N,N-Diethylamino)ethanol, 2-Hydroxytriethylamine, 2-N-Diethylaminoethanol, DEAE, Diethylamino ethanol, Diethylaminoethanol, Diethylethanolamine, Diethylmonoethanolamine, Ethanol, 2-(diethylamino)-, N,N-Diethyl-2-aminoethanol, N,N-Diethyl-2-hydroxyethylamine, N,N-Diethylethanolamine, N,N-Diethylmonoethanolamine, Pennad 150
100-37-8
1Cat 1
AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=1878 JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/10-mhlw-2011e.html NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/EA912E8C-526D-4362-907D-514458CD8041
JP_CHRIP: In the rabbit test (OECD TG 404), occlusive application of the substance for 3 minutes up to 4 hours caused necrosis and resulted that the substance was corrosive (SIDS (Access on Jun. 2009)). Similarly, in other reports of rabbit tests, necrosis was observed and resulted that the substance was corrosive (SIDS (Access on Jun. 2009)). Based on these test results, the substance was classified as Category 1. As relevant information, the substance was classified as "R34" in the EU classification (EU Annex I (2006)). NZ_CCID: Skin Irritation R-PHRASE: R 34 Causes burns. [ECB- Annex - 1] Eye Irritation R-PHRASE: R 34 Causes burns. [ECB- Annex - 1]
Provided
AU_HCIS, JP_CHRIP, NZ_CCID
3
CCN(CC)CCO
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.982D
J-GLOBAL
CCN(CC)CCO
Train
EU_REACH: [(6-chloropyridin-3-yl)methyl](2,2-difluoroethyl)amine
null
1003859-14-0
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6647/7/4/2/?documentUUID=3cae490c-6772-46dc-924a-7eefd4d9d659
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1=CC(=NC=C1CNCC(F)F)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/44604123
PubChem
FC(F)CNCc1ccc(Cl)nc1
Train
EU_REACH: 2-[(4-methyl-2-nitrophenyl)amino]ethan-1-ol
null
100418-33-5
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/22442/7/4/2/?documentUUID=a5994755-30cf-4571-b3d8-f238c9372ba2
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC1=CC(=C(C=C1)NCCO)[N+](=O)[O-]
https://pubchem.ncbi.nlm.nih.gov/compound/10130360
PubChem
Cc1ccc(NCCO)c([N+](=O)[O-])c1
Train
NZ_CCID: Benzylamine
null
100-46-9
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/CD82B4A8-1C71-4F25-8938-3184B0632B04
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
C1=CC=C(C=C1)CN
https://pubchem.ncbi.nlm.nih.gov/compound/7504
PubChem
NCc1ccccc1
Train
NZ_CCID: Phenyl thioxochloroformate
NZ_CCID: o-Phenyl chlorothioformate, phenyl chlorothionoformate
1005-56-7
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/B4CCF7E2-9E9A-41BC-84E8-9D55BF24A78F
NZ_CCID: Skin Irritation R-PHRASE: R 34. [Company Data] Eye Irritation R-PHRASE: R 34. [Company Data]
null
NZ_CCID
1
C1=CC=C(C=C1)OC(=S)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/70498
PubChem
S=C(Cl)Oc1ccccc1
Train
NZ_CCID: Cyclohexyl(methyl)amine
NZ_CCID: N-methylcyclohexylamine
100-60-7
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/E393DAB0-EBE1-4010-8ED3-B2B2870B2B31
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
CNC1CCCCC1
https://pubchem.ncbi.nlm.nih.gov/compound/7514
PubChem
CNC1CCCCC1
Train
JP_CHRIP: 2-Vinylpyridine NZ_CCID: 2-Vinylpyridine (stabilized with 4-t-butylpyrocatechol)
JP_CHRIP: 2-Vinylpyridine 2-Ethenylpyridine 2-Ethylpyridine 2-Pyridylethylene alpha-Vinylpyridine Pyridine, 2-ethenyl- NZ_CCID: 2-vinylpyridine
100-69-6
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/16-meti-0008e.html NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/3A61356D-51AF-46DA-9905-7A574440768A
JP_CHRIP: There is a report that in a study using rabbits, as a result of the application of 0.5 ml of an undiluted solution of this substance for 1 hour, necrosis was observed (SIDS (2014)). In addition, it is described that this substance caused strong irritation to rabbits (PATTY (6th, 2012)). Moreover, there is a report that this substance caused skin burns after contact with human skin, and the site of inflammation became reddish-brown and took about a month to disappear (Initial Risk Assessment Report (NITE, CERI, NEDO,2005), PATTY (6th, 2012)). From the above, this substance was classified in 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
C=Cc1ccccn1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.336H
J-GLOBAL
C=Cc1ccccn1
Train
JP_CHRIP: N-Ethylmorpholine
JP_CHRIP: Morpholine, 4-ethyl- N-Ethylmorphorine
100-74-3
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/14-mhlw-2016e.html
JP_CHRIP: In a skin irritation test with rabbits (equivalent to OECD TG 404), moderate to severe irritation such as erythema and edema were observed 24 hours after application on application of this substance for 1-15 minutes or 20 hours, and necrosis was observed after 8 days on application for 5 minutes or above (SIDS (2007)). Based on this newly added test information, this substance was judged to be corrosive, and it was classified in Category 1B. The category was changed by adding the test information.
Provided
JP_CHRIP
1
CCN1CCOCC1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.428H
J-GLOBAL
CCN1CCOCC1
Train
JP_CHRIP: Methyl 3-chloro-5-(4,6-dimethoxy-2-pyrimidinylcarbamoylsulfamoyl)-1-methylpyrazole-4-carboxylate; Halosulfuron-methyl
null
100784-20-1
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/20-mhlw-2124e.html
JP_CHRIP: [Rationale for the Classification] It was classified as "Not classified" from (1), (2). [Evidence Data] (1) In a skin irritation test with rabbits according to OECD TG 404 on this substance, no skin reactions were seen, and it was judged as not a skin irritant (RAC Background Document (2017)). (2) In a skin irritation test with rabbits, no irritation was observed (Risk Assessment Report (Pesticides) (Food Safety Commission of Japan, 2014), EU EFSA (2012), A pesticide abstract and evaluation report (Food and Agricultural Materials Inspection Center, 2008)).
Provided
JP_CHRIP
1
COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J640.666A
J-GLOBAL
COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
Train
EU_REACH: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol
null
100-79-8
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12258/7/4/2/?documentUUID=8dbc09df-a4a0-4e0f-8547-8638bbea689e
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC1(OCC(O1)CO)C
https://pubchem.ncbi.nlm.nih.gov/compound/7528
PubChem
CC1(C)OCC(CO)O1
Train
JP_CHRIP: 1,3,5,7-Tetraazatricyclo[3.3.1.1(3,7)]decane
JP_CHRIP: Methenamine 1,3,5,7-Tetraazatricyclo(3.3.1.1(3,7))decane 1,3,5,7-Tetraazatricyclo[3.3.1.1(3,7)]decane Hexamethylenetetramine Hexamine Methenamine Urotropine
100-97-0
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/15-meti-0014e.html
JP_CHRIP: There is a report that in a skin irritation test (OECD TG404) with rabbits, as a result of an occlusive application of 0.5 mL of this substance for 4 hours, no irritation was observed (EU-RAR (2008), Initial Risk Assessment Report (NITE, CERI, NEDO, 2008)). On the other hand, irritant dermatitis, redness, edema, etc. were reported in occupational exposure, but reversibility etc. are unknown (EU-RAR (2008)). It is described in EU-RAR (2008) that since this substance is hydrolyzed to form formaldehyde and ammonia on contact with human skin or sweat, irritation observed in occupational exposure may be caused by the decomposition products, formaldehyde and ammonia, there is insufficient evidence to conclude that this substance is irritating (EU-RAR (2008)). From the above, it was classified as "Not classified" (Category 3 in UN GHS classification) based on the test compliant with the test guideline.
Provided
JP_CHRIP
1
C1N2CN3CN1CN(C2)C3
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.765B
J-GLOBAL
C1N2CN3CN1CN(C2)C3
Train
EU_REACH: 1-[4-({4-[(dimethylcarbamoyl)amino]phenyl}methyl)phenyl]-3,3-dimethylurea
null
10097-09-3
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24294/7/4/2/?documentUUID=bd4a58d8-ad15-46a8-af6e-ff4a6e1c0497
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CN(C)C(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)N(C)C
https://pubchem.ncbi.nlm.nih.gov/compound/305607
PubChem
CN(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)N(C)C)cc2)cc1
Train
EU_REACH: 2,5-bis(phenylamino)benzene-1,4-dicarboxylic acid
null
10109-95-2
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12394/7/4/2/?documentUUID=1c95dd29-c148-43c7-b224-ce6ad09e38e1
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1=CC=C(C=C1)NC2=CC(=C(C=C2C(=O)O)NC3=CC=CC=C3)C(=O)O
https://pubchem.ncbi.nlm.nih.gov/compound/82351
PubChem
O=C(O)c1cc(Nc2ccccc2)c(C(=O)O)cc1Nc1ccccc1
Train
JP_CHRIP: Triallyl cyanurate
null
101-37-1
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/10-mhlw-0177e.html
JP_CHRIP: The substance was classified as "Not classified" based on the document that primary skin irritation index value was 0 and resulted as non irritant in the rabbit test (OECD TG 404) (BUA 248 (2003)).
Provided
JP_CHRIP
1
C=CCOc1nc(OCC=C)nc(OCC=C)n1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.663J
J-GLOBAL
C=CCOc1nc(OCC=C)nc(OCC=C)n1
Train
JP_CHRIP: N-({4-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide; Flufenoxuron
null
101463-69-8
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/20-meti-0081e.html
JP_CHRIP: [Rationale for the Classification] It was classified as "Not classified" from (1). [Evidence Data] (1) It is reported that in a skin irritation test with rabbits (n = 6) (OECD TG 404, GLP, semi-occlusive, 4-hour application, 7-day observation), no irritation changes were seen in any animal (erythema/eschar score: 0/0/0/0/0/0, edema score: 0/0/0/0/0/0) (Risk Assessment Report (Pesticides) (Food Safety Commission of Japan, 2014), ECHA RAC Opinion (2011), CLH Report (2009), A pesticide abstract and evaluation report (Food and Agricultural Materials Inspection Center, 2015)).
Provided
JP_CHRIP
1
Fc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1NC(=O)NC(=O)c1c(F)cccc1F
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J228.145G
J-GLOBAL
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F
Train
NZ_CCID: 1-Propanesulphonyl chloride
null
10147-36-1
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/80F56582-6FF9-4B82-85C7-7A4A786E29E1
NZ_CCID: Skin Irritation R PHRASE: R 34 [CHEMWATCH] Eye Irritation R PHRASE: R 41 [CHEMWATCH]
null
NZ_CCID
1
CCCS(=O)(=O)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/66279
PubChem
CCCS(=O)(=O)Cl
Train
JP_CHRIP: N-Phenyl-1,4-benzenediamine
JP_CHRIP: 4-Aminodiphenylamine N-(4-Aminophenyl)aniline N-Phenyl-p-phenylenediamine
101-54-2
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/10-mhlw-0025e.html
JP_CHRIP: In the rabbit test (OECD TG 404) treated with 0.5g of test substance for 4 hours, the average score of erythema and edema were 0 at all observation points, i.e. not irritating (SIDS (2004)). Based on the documents, the substance was classified as "Not classified". As relevant information, in volunteers tests, obvious irritation was not observed for 2-hour exposure, but transient irritation was observed in 4-hour exposure in half the people. Obvious erythema was observed for 24-hour exposure, but disappeared in a week (BUA 131 (1993)).
Provided
JP_CHRIP
1
Nc1ccc(Nc2ccccc2)cc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.017G
J-GLOBAL
Nc1ccc(Nc2ccccc2)cc1
Train
EU_REACH: (3R,3aR,6R,6aR)-6-(3-methoxy-4-{3-methoxy-4-[4-(prop-2-enoyloxy)benzoyloxy]benzoyloxy}benzoyloxy)-hexahydrofuro[3,2-b]furan-3-yl 3-methoxy-4-[4-(prop-2-enoyloxy)benzoyloxy]benzoate; (3R,3aR,6R,6aR)-6-(3-methoxy-4-{4-[4-(prop-2-enoyloxy)benzoyloxy]benzoyloxy}benzoyloxy)-hexahydrofuro[3,2-b]furan-3-yl 3-methoxy-4-[4-(prop-2-enoyloxy)benzoyloxy]benzoate; (3S,3aS,6S,6aS)-6-{3-methoxy-4-[4-(prop-2-enoyloxy)benzoyloxy]benzoyloxy}-hexahydrofuro[3,2-b]furan-3-yl 3-methoxy-4-[4-(prop-2-enoyloxy)benzoyloxy]benzoate
null
1015689-48-1
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1763/7/4/2/?documentUUID=c3feae7f-6d7f-426a-a684-7574a6fa1859
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
COC1=C(C=CC(=C1)C(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)C4=CC(=C(C=C4)OC(=O)C5=CC=C(C=C5)OC(=O)C=C)OC)OC(=O)C6=CC=C(C=C6)OC(=O)C=C
https://pubchem.ncbi.nlm.nih.gov/compound/66690863
PubChem
C=CC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)c3ccc(OC(=O)c4ccc(OC(=O)C=C)cc4)c(OC)c3)cc2OC)cc1
Train
EU_REACH: 6-bromo-2-chloro-8-cyclopentyl-5-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
null
1016636-76-2
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18377/7/4/2/?documentUUID=1f49a80b-df3d-4652-9c66-3dd961d723da
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC1=C(C(=O)N(C2=NC(=NC=C12)Cl)C3CCCC3)Br
https://pubchem.ncbi.nlm.nih.gov/compound/44248249
PubChem
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Cl)ncc12
Train
JP_CHRIP: dicyclohexylamine KR_NCIS: Dicyclohexylamine NZ_CCID: Dicyclohexylamine
JP_CHRIP: Dodecahydrodiphenylamine N,N-Dicyclohexylamine N-Cyclohexylcyclohexanamine KR_NCIS: N-Cyclohexylcyclohexanamine; dodecahydrodiphenylamine NZ_CCID: Cyclohexanamine, N-cyclohexyl-
101-83-7
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/08-mhlw-0028e.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-information-database-ccid/view/F5A530CA-7137-4345-AEC4-1ABD54D8C8C2
JP_CHRIP: In primary skin irritation tests, the substance was topically applied onto 6 rabbits for 24 hours, and during the 21-day observation, the average scores of the Primary Dermal Irritation Index after 24-72 hours indicated that the substance was corrosive (HSDB (2003)). Other tests also reported that the substance was highly corrosive (IUCLID (2000)) or causes immediate necrosis (IUCLID (2000)). Thus, the substance was classified into Category 1. NZ_CCID: Skin Irritation REMARK: EU Classifications (Directive 67/548/EEC): C ?25%: C,N; R22-34-50/53 10% ? C<25%: C,N; R34-51/53 2.5% ? C<10%: Xi,N; R36/38-51/53 2% ? C<2.5%: Xi,; R36/38-52/53 0.25% ? C<2%: R52/53 Eye Irritation REMARK: EU Classifications (Directive 67/548/EEC): C ?25%: C,N; R22-34-50/53 10% ? C<25%: C,N; R34-51/53 2.5% ? C<10%: Xi,N; R36/38-51/53 2% ? C<2.5%: Xi,; R36/38-52/53 0.25% ? C<2%: R52/53
null
JP_CHRIP, KR_NCIS, NZ_CCID
3
C1CCC(CC1)NC1CCCCC1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.018E
J-GLOBAL
C1CCC(NC2CCCCC2)CC1
Train
NZ_CCID: Dimethyl-N-cyanodithioiminocarbonate
null
10191-60-3
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/D4F67168-3584-446E-BCDA-1FB53B5A71B0
NZ_CCID: Skin Irritation R PHRASE: R 34 [CHEMWATCH] Eye Irritation R PHRASE: R 41 [CHEMWATCH]
null
NZ_CCID
1
CSC(=NC#N)SC
https://pubchem.ncbi.nlm.nih.gov/compound/66289
PubChem
CSC(=NC#N)SC
Train
EU_REACH: 3-[(2-sulfanylacetyl)oxy]-2,2-bis({[(2-sulfanylacetyl)oxy]methyl})propyl 2-sulfanylacetate
null
10193-99-4
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24985/7/4/2/?documentUUID=c5bb677b-60dd-4a0d-bc90-0eb46ee84a0b
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C(C(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)S
https://pubchem.ncbi.nlm.nih.gov/compound/82441
PubChem
O=C(CS)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS
Train
EU_REACH: 5-[(4-carboxybutanoyl)peroxy]-5-oxopentanoic acid
null
10195-54-7
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/23473/7/4/2/?documentUUID=711b4bbb-253e-41b7-8158-6e607ac38f9c
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C(CC(=O)O)CC(=O)OOC(=O)CCCC(=O)O
https://pubchem.ncbi.nlm.nih.gov/compound/44150802
PubChem
O=C(O)CCCC(=O)OOC(=O)CCCC(=O)O
Train
EU_REACH: 3-oxo-N-phenylbutanamide
null
102-01-2
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14590/7/4/2/?documentUUID=3e2a0e7f-dbc5-4f8d-be29-1e80b325a8b5
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC(=O)CC(=O)NC1=CC=CC=C1
https://pubchem.ncbi.nlm.nih.gov/compound/7592
PubChem
CC(=O)CC(=O)Nc1ccccc1
Train
EU_REACH: 1,3-diphenyl-2-thiourea
null
102-08-9
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/11688/7/4/2/?documentUUID=59cb1c86-0977-4bb0-9285-4f37622e5820
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2
https://pubchem.ncbi.nlm.nih.gov/compound/700999
PubChem
S=C(Nc1ccccc1)Nc1ccccc1
Train
JP_CHRIP: Diphenyl carbonate
null
102-09-0
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/13-mhlw-0004e.html
JP_CHRIP: It was classified as "Not classified" because there was no irritationin in the result of skin irritation test with rabbits according to OECD TG 404 (SIDS (2006)).
Provided
JP_CHRIP
1
O=C(Oc1ccccc1)Oc1ccccc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.004K
J-GLOBAL
O=C(Oc1ccccc1)Oc1ccccc1
Train
JP_CHRIP: 3,4-Dichlorophenyl isocyanate
null
102-36-3
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0075e.html
JP_CHRIP: It was classified as "Not classified" because it was not irritating in a test by a 4-hour application to the rabbit skin (OECD TG404, GLP-compliant) (IUCLID (2000)), and it was not a primary irritant in another test with rabbits (Federal Hazardous Substance Act, Section 191.11) (IUCLID (2000)).
Provided
JP_CHRIP
1
Clc1ccc(cc1Cl)N=C=O
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J70.203J
J-GLOBAL
O=C=Nc1ccc(Cl)c(Cl)c1
Train
EU_REACH: 2,5-dimethoxyaniline
null
102-56-7
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5256/7/4/2/?documentUUID=75420e84-12e6-45f4-8403-ae3b7bea0b88
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
COC1=CC(=C(C=C1)OC)N
https://pubchem.ncbi.nlm.nih.gov/compound/7613
PubChem
COc1ccc(OC)c(N)c1
Train
EU_REACH: (1E)-1-chloro-3,3,3-trifluoroprop-1-ene
null
102687-65-0
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10762/7/4/2/?documentUUID=4aaceeee-98e5-4243-9227-d5fdbb852cdb
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C(=C/Cl)\C(F)(F)F
https://pubchem.ncbi.nlm.nih.gov/compound/5709018
PubChem
FC(F)(F)/C=C/Cl
Train
JP_CHRIP: 2-(Di-n-butylamino)ethanol
JP_CHRIP: 2-(Di-n-butylamino)ethanol 2-(dibutylamino)ethanol 2-(dibutylamino)ethanol (synonym:2-(di-n-butylamino)ethanol) 2-Di-N-butylaminoethyl alcohol N,N-Dibutyl-N-(2-hydroxyethyl)amine N,N-Dibutylethanolamine
102-81-8
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/19-mhlw-2013e.html
JP_CHRIP: [Rationale for the Classification] Based on (1)-(3), it was classified in Category 1. [Evidence Data] (1) In an occlusive application test with rabbits for 1 minute, 5 minutes and 20 hours, necrosis was observed after 20 hours and it was judged to be corrosive (REACH registration dossier (Access on July 2019)). (2) It was reported to be corrosive in a test in which 0.01 mL was applied to rabbits for 24 hours (Initial Risk Assessment Report (NITE, CERI, NEDO, 2007)). (3) This substance produced necrosis within 24 hours when applied to the skin of rabbits. In addition, when instilled in the eyes, it produced corneal necrosis (ACGIH (7th, 2001)).
null
JP_CHRIP
1
CCCCN(CCO)CCCC
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J78.150I
J-GLOBAL
CCCCN(CCO)CCCC
Train
NZ_CCID: 1,3-Propanediamine, N,N-dibutyl-
NZ_CCID: 3-(dibutylamino)propylamine, N,N-Dibutyltrimethylenediamine
102-83-0
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/1488968B-4C6F-4352-80AF-BAF66DCAEBC4
NZ_CCID: Eye Irritation R PHRASE: R 36 [Company Data]
null
NZ_CCID
1
CCCCN(CCCC)CCCN
https://pubchem.ncbi.nlm.nih.gov/compound/1626
PubChem
CCCCN(CCCC)CCCN
Train
EU_REACH: 2,5-bis[(4-methylphenyl)amino]benzene-1,4-dicarboxylic acid
null
10291-28-8
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1193/7/4/2/?documentUUID=4a085628-d10d-4a1c-b919-26de70af3ca3
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC1=CC=C(C=C1)NC2=CC(=C(C=C2C(=O)O)NC3=CC=C(C=C3)C)C(=O)O
https://pubchem.ncbi.nlm.nih.gov/compound/82524
PubChem
Cc1ccc(Nc2cc(C(=O)O)c(Nc3ccc(C)cc3)cc2C(=O)O)cc1
Train
NZ_CCID: Cinnamoyl chloride
null
102-92-1
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/74852718-6C89-4F9C-976B-70BC0574D6CA
NZ_CCID: Skin Irritation R PHRASE: R 38 [CHEMWATCH] Eye Irritation R PHRASE: R 41 [CHEMWATCH]
null
NZ_CCID
1
C1=CC=C(C=C1)/C=C/C(=O)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/5354261
PubChem
O=C(Cl)/C=C/c1ccccc1
Train
EU_REACH: 2,2-dimethyl-3-oxopropyl dodecanoate
null
102985-93-3
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/8619/7/4/2/?documentUUID=872fe893-ed81-4b5e-85ea-acb7079ebadc
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CCCCCCCCCCCC(=O)OCC(C)(C)C=O
https://pubchem.ncbi.nlm.nih.gov/compound/23105499
PubChem
CCCCCCCCCCCC(=O)OCC(C)(C)C=O
Train
EU_REACH: 3-(hexyloxy)propane-1,2-diol
null
10305-38-1
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/32155/7/4/2/?documentUUID=ec0541ef-8a35-4062-a90f-2edc9ab632f4
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CCCCCCOCC(CO)O
https://pubchem.ncbi.nlm.nih.gov/compound/11229094
PubChem
CCCCCCOCC(O)CO
Train
EU_REACH: 4a,6a-dimethyl-2-oxo-1H,2H,3H,4H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH,10H-indeno[5,4-f]quinoline-7-carboxylic acid
null
103335-54-2
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6555/7/4/2/?documentUUID=345787bf-319c-4f60-a9b3-72223d48643e
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CC=C4[C@@]3(CCC(=O)N4)C
https://pubchem.ncbi.nlm.nih.gov/compound/475447
PubChem
C[C@]12CC[C@H]3[C@@H](CC=C4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O
Train
EU_REACH: tert-butyl 2-[(7R,9R)-9-(cyanomethyl)-6,10-dioxaspiro[4.5]decan-7-yl]acetate
null
1035204-82-0
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10492/7/4/2/?documentUUID=f8433e56-0272-4152-91c0-c1e749bce035
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC(C)(C)OC(=O)C[C@H]1C[C@H](OC2(O1)CCCC2)CC#N
https://pubchem.ncbi.nlm.nih.gov/compound/44249256
PubChem
CC(C)(C)OC(=O)C[C@H]1C[C@@H](CC#N)OC2(CCCC2)O1
Train
EU_REACH: tert-butyl 2-[(7R,9R)-9-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-6,10-dioxaspiro[4.5]decan-7-yl]acetate
null
1035204-85-3
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10263/7/4/2/?documentUUID=9ad6daf3-54e5-4d2b-9c2f-9e5df2f38f9e
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@@H](OC3(O2)CCCC3)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)NC6=CC=CC=C6
https://pubchem.ncbi.nlm.nih.gov/compound/44249373
PubChem
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC2(CCCC2)O1
Train
JP_CHRIP: 2-Phenoxyethyl isobutyrate
null
103-60-6
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/20-meti-0061e.html
JP_CHRIP: [Rationale for the Classification] It was classified as "Not classified" from (1). [Evidence Data] (1) It is reported that in a skin irritation test with rabbits (n = 8) (equivalent to OECD TG 404, semi-occlusive, 4-hour application, 72-hour observation), slight erythema in 2 animals and slight erythema and edema in 2 were observed after 24 hours, and slight erythema in 1 and slight erythema and edema in 2 persisted after 72 hours (erythema/eschar score: 0/1/0.3/0/0/0/1/1, edema score: 0/0/0/0/0/0/1/1.3) (REACH registration dossier (Accessed Oct. 2020)).
Provided
JP_CHRIP
1
CC(C)C(=O)OCCOc1ccccc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J182.167I
J-GLOBAL
CC(C)C(=O)OCCOc1ccccc1
Train
JP_CHRIP: (2-Bromoethyl)benzene
null
103-63-9
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/10-mhlw-0194e.html
JP_CHRIP: The substance was classified as "Not classified" based on the document that 24-hour application of 0.5 mL of the undiluted substance to rabbit skin (OECD TG 404, GLP-compliant) did not cause erythema nor edema during the observation period, and the primary skin irritation index value (PII) was 0 (ECETOC 66 (1995)).
Provided
JP_CHRIP
1
BrCCc1ccccc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J44.198H
J-GLOBAL
BrCCc1ccccc1
Train
NZ_CCID: Phenyl isocyanate
null
103-71-9
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/175F266D-2B3A-4652-8254-B55A79F093A1
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
C1=CC=C(C=C1)N=C=O
https://pubchem.ncbi.nlm.nih.gov/compound/7672
PubChem
O=C=Nc1ccccc1
Train
NZ_CCID: Phenylacetyl chloride
null
103-80-0
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/7D5F0720-8E56-45E6-89A6-FE826D59A6F2
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
C1=CC=C(C=C1)CC(=O)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/7679
PubChem
O=C(Cl)Cc1ccccc1
Train
JP_CHRIP: benzyldimethylamine NZ_CCID: Benzyldimethylamine
JP_CHRIP: Benzyl-N,N-dimethylamine Dimethylbenzylamine N,N-Dimethylbenzenemethanamine N,N-dimethylbenzylamine N-(Phenylmethyl)dimethylamine N-Benzyldimethylamine NZ_CCID: N,N-dimethylbenzylamine
103-83-3
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/08-mhlw-0154e.html NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/96BB6924-95D1-488D-9E7C-2C7D0F74F932
JP_CHRIP: Draize tests using rabbits gave score 4 or higher in response to the test substance, indicating that it is severely irritating (ECETOC TR 66 (1995)). Thus, it was classified into Category 1. It is rated as R34 in the EU classification. NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
JP_CHRIP, NZ_CCID
2
CN(C)Cc1ccccc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.099F
J-GLOBAL
CN(C)Cc1ccccc1
Train
JP_CHRIP: Acetanilide
null
103-84-4
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0010e.html
JP_CHRIP: It was classified as "Not classified" because it was not irritating in a skin irritation test with rabbits (OECD TG404, GLP-compliant) (SIDS (2001)).
Provided
JP_CHRIP
1
CC(=O)Nc1ccccc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.023A
J-GLOBAL
CC(=O)Nc1ccccc1
Train
NZ_CCID: Trimethylsilyl N-trimethylsilylacetamidate
NZ_CCID: N,O-Bis(trimethylsilyl) acetamide, bis(trimethylsilyl)acetamide
10416-59-8
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/D6D1FA8E-3CFA-4330-A3BA-CE07F6F83A57
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
CC(=N[Si](C)(C)C)O[Si](C)(C)C
https://pubchem.ncbi.nlm.nih.gov/compound/25248
PubChem
CC(=N[Si](C)(C)C)O[Si](C)(C)C
Train
EU_REACH: dimethyl[2-(4-methylpiperazin-1-yl)ethyl]amine
null
104-19-8
1Cat 1
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27533/7/4/2/?documentUUID=2e89c95a-ea1b-4b0c-ad29-685dd619899e
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CN1CCN(CC1)CCN(C)C
https://pubchem.ncbi.nlm.nih.gov/compound/66908
PubChem
CN(C)CCN1CCN(C)CC1
Train
NZ_CCID: 2-Ethyl-2-oxazoline
null
10431-98-8
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/248ACE75-3954-4A89-95E4-82B749754C01
NZ_CCID: Skin Irritation R PHRASE: R 35 [Company Data] Effects Below Cut Off Eye Irritation R PHRASE: R 35 [Company Data]
null
NZ_CCID
1
CCC1=NCCO1
https://pubchem.ncbi.nlm.nih.gov/compound/66412
PubChem
CCC1=NCCO1
Train
AU_HCIS: Phenol, 4-nonyl- KR_NCIS: Nonylphenols US_HSDB: 4-Nonylphenol
KR_NCIS: 4-Nonylphenol; p-Nonylphenol
104-40-5
1Cat 1
AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=5470 KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances" US_HSDB: https://pubchem.ncbi.nlm.nih.gov/source/hsdb/5359
null
null
AU_HCIS, KR_NCIS, US_HSDB
3
CCCCCCCCCC1=CC=C(C=C1)O
https://pubchem.ncbi.nlm.nih.gov/compound/1752
PubChem
CCCCCCCCCc1ccc(O)cc1
Train
JP_CHRIP: 2-cyclohexylidene-2-phenylacetonitrile
JP_CHRIP: Cyclohexylidene(phenyl)acetonitrile
10461-98-0
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/20-meti-0020e.html
JP_CHRIP: [Rationale for the Classification] It was classified as "Not classified" from (1). [Evidence Data] (1) It is reported that in a skin irritation test with rabbits (n = 3) (OECD TG 404, GLP, semi-occlusive, 4-hour application, 72-hour observation), no skin irritation was seen (erythema/eschar score: 0/0/0, edema score: 0/0/0) (REACH registration dossier (Accessed Aug. 2020)).
Provided
JP_CHRIP
1
N#CC(=C1CCCCC1)c1ccccc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.470.173E
J-GLOBAL
N#CC(=C1CCCCC1)c1ccccc1
Train
EU_REACH: 2-ethylhexylamine JP_CHRIP: 2-Ethylhexylamine NZ_CCID: 1-Hexanamine, 2-ethyl-
NZ_CCID: 2-Ethylhexylamine
104-75-6
1Cat 1
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1994/7/4/2/?documentUUID=8e9eab31-ed59-447a-b936-534c742b0456 JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/09-mhlw-0138e.html NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/63C77C25-D16E-4CC0-8174-08EC7CD96CA2
EU_REACH: Experimental study (OECD TG 404, GLP) JP_CHRIP: Based on a report that the substance is corrosive solution (PATTY (5th, 2001)), the substance was classified into Category 1. As relevant information, there is a result of "severe" irritating in a Draize test with rabbits (24-hour application) (RTECS (1997)). NZ_CCID: Skin Irritation SPECIES: Rabbit RESULT: Severe REFERENCE SOURCE: Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 (-,436,1986). [RTECS] Eye Irritation SPECIES: Rabbit RESULT: Severe REFERENCE SOURCE: Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 (-,436,1986). [RTECS]
Provided
EU_REACH, JP_CHRIP, NZ_CCID
3
CCCCC(CC)CN
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.019H
J-GLOBAL
CCCCC(CC)CN
Train
EU_REACH: 1-({bis[(1-chloropropan-2-yl)oxy]phosphoryl}oxy)-2-[({bis[(1-chloropropan-2-yl)oxy]phosphoryl}oxy)methyl]-3-chloro-2-(chloromethyl)propane
null
1047637-37-5
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7660/7/4/2/?documentUUID=063917c3-d1a6-4ddb-a0aa-bc09219c83e4
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC(CCl)OP(=O)(OCC(COP(=O)(OC(C)CCl)OC(C)CCl)(CCl)CCl)OC(C)CCl
https://pubchem.ncbi.nlm.nih.gov/compound/138395011
PubChem
CC(CCl)OP(=O)(OCC(CCl)(CCl)COP(=O)(OC(C)CCl)OC(C)CCl)OC(C)CCl
Train
JP_CHRIP: 3-(Diethylamino)propylamine NZ_CCID: 3-Diethylamino-1-propylamine
null
104-78-9
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/09-mhlw-0147e.html NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/56A470ED-951E-44BD-85A5-D85DCCE53A67
JP_CHRIP: In a skin irritation test where 0.5 mL of the substance was applied to one rabbit for 4-hour, necrosis was observed 1-hour after application (ECETOC TR66 (1995)). Additionally, the substance has a pH of 11.7 (20 degC, 10 g/L water) (GESTIS (access on Oct. 2009)) and is classified into C; R34 in EU classification. Therefore, 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
CCN(CC)CCCN
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.461I
J-GLOBAL
CCN(CC)CCCN
Train
EU_REACH: (Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino acetate
null
104797-47-9
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/25591/7/4/2/?documentUUID=9f7fbca7-4882-47d6-92c2-a057b97c3bd6
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC(=O)O/N=C(/C1=CSC(=N1)N)\C(=O)SC2=NC3=CC=CC=C3S2
https://pubchem.ncbi.nlm.nih.gov/compound/11417595
PubChem
CC(=O)O/N=C(\C(=O)Sc1nc2ccccc2s1)c1csc(N)n1
Train
NZ_CCID: Benzenemethanamine, 4-chloro-
null
104-86-9
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/3E66A74E-44E0-4388-B209-23CC9C4FD9C7
NZ_CCID: Skin Irritation R PHRASE: R 34 [CHEMWATCH] Eye Irritation R PHRASE: R 41 [CHEMWATCH]
null
NZ_CCID
1
C1=CC(=CC=C1CN)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/66036
PubChem
NCc1ccc(Cl)cc1
Train
NZ_CCID: Crotonoyl chloride (mixture of cis- and trans isomers)
NZ_CCID: crotonyl chloride
10487-71-5
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/46B727BC-8505-4B87-8905-84EC7B9CAF41
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
C/C=C/C(=O)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/643131
PubChem
C/C=C/C(=O)Cl
Train
NZ_CCID: 3-Cyclopentyl propionyl chloride
null
104-97-2
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/3B33B989-C9DF-42E6-B4DF-8E6FE2633ACD
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
C1CCC(C1)CCC(=O)Cl
https://pubchem.ncbi.nlm.nih.gov/compound/66039
PubChem
O=C(Cl)CCC1CCCC1
Train
EU_REACH: cyclohexane-1,4-diyldimethanol
null
105-08-8
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14211/7/4/2/?documentUUID=07fb6645-1229-4b75-9812-3f61256ee806
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1CC(CCC1CO)CO
https://pubchem.ncbi.nlm.nih.gov/compound/7735
PubChem
OCC1CCC(CO)CC1
Train
EU_REACH: 3-{[4'-(3-aminophenoxy)-[1,1'-biphenyl]-4-yl]oxy}aniline
null
105112-76-3
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1388/7/4/2/?documentUUID=73e9bfac-1b2e-4d5b-867b-8e6706087cd1
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1=CC(=CC(=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC4=CC=CC(=C4)N)N
https://pubchem.ncbi.nlm.nih.gov/compound/11810717
PubChem
Nc1cccc(Oc2ccc(-c3ccc(Oc4cccc(N)c4)cc3)cc2)c1
Train
NZ_CCID: 3-Methylpentanoic acid
NZ_CCID: 3-methylvaleric acid
105-43-1
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/97F0DCB2-4890-4531-8142-E30A136DF299
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
CCC(C)CC(=O)O
https://pubchem.ncbi.nlm.nih.gov/compound/7755
PubChem
CCC(C)CC(=O)O
Train
EU_REACH: N,N'-ethylenebis[N-acetylacetamide]
null
10543-57-4
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14315/7/4/2/?documentUUID=8104f264-d73d-4696-b31c-35ee1dac4b0f
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C
https://pubchem.ncbi.nlm.nih.gov/compound/66347
PubChem
CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O
Train
JP_CHRIP: methyl acetoacetate
JP_CHRIP: Methyl 3-oxobutyrate 1-Methoxybutane-1,3-dione Acetoacetic acid methyl ester Butanoic acid, 3-oxo-, methyl ester methyl acetoacetate
105-45-3
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/08-mhlw-0155e.html
JP_CHRIP: Rabbit tests (OECD TG 404, GLP) (IUCLID, 2000) found that the substance is not irritating. Based on this description, it was classified into the "Not classified" category.
Provided
JP_CHRIP
1
COC(=O)CC(=O)C
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.957G
J-GLOBAL
COC(=O)CC(C)=O
Train
EU_REACH: 1,3-diethyl-2-thiourea
null
105-55-5
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12736/7/4/2/?documentUUID=54c4520f-e443-4771-b25f-89adf4439c0b
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CCNC(=S)NCC
https://pubchem.ncbi.nlm.nih.gov/compound/2735009
PubChem
CCNC(=S)NCC
Train
EU_REACH: ethyl 2-cyanoacetate
null
105-56-6
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14515/7/4/2/?documentUUID=e05e38f5-d9d5-4efd-bf56-ae46a1b98cc5
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CCOC(=O)CC#N
https://pubchem.ncbi.nlm.nih.gov/compound/7764
PubChem
CCOC(=O)CC#N
Train
KR_NCIS: N,N'-Bis(3-aminopropyl)-1,2-ethane diamin
KR_NCIS: 1,3-Propanediamine, N,N''-1,2-ethanediylbis; 1,3-Propanediamine, N,N''-1,2-ethanediylbis-; 1,3-Propanediamine, N,N''-ethylenebis-; 1,3-Propanediamine, N1,N1'-1,2-ethanediylbis-; N-(2-(3-Aminopropylamino)ethyl)-1,3-propanediamine; N,N'-Bis(3-aminopropyl)-1,2-ethanediamine; N,N'-Bis(3-aminopropyl)diaminoethane; N,N'-Bis(3-aminopropyl)ethylenediamine; N,N'-Diaminopropylethylenediamine; N-[2-(3-Aminopropylamino)ethyl]propane-1,3-diamine
10563-26-5
1Cat 1
KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances"
null
null
KR_NCIS
1
C(CN)CNCCNCCCN
https://pubchem.ncbi.nlm.nih.gov/compound/25378
PubChem
NCCCNCCNCCCN
Train
EU_REACH: {3-[(3-aminopropyl)amino]propyl}dimethylamine
null
10563-29-8
1Cat 1
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12651/7/4/2/?documentUUID=eefcc885-0e68-4f02-a55d-c6eade158cf9
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CN(C)CCCNCCCN
https://pubchem.ncbi.nlm.nih.gov/compound/82728
PubChem
CN(C)CCCNCCCN
Train
JP_CHRIP: 2,4-Xylenol KR_NCIS: 2,4-Dimethylphenol NZ_CCID: 2,4-Xylenol
JP_CHRIP: 2,4-Xylenol Phenol, 2,4-dimethyl- KR_NCIS: 1-Hydroxy-2,4-dimethylbenzene; 2,4-Xylenol; 4,6-Dimethylphenol; 4-Hydroxy-1,3-dimethylbenzene; m-Xylenol; Phenol, 2,4-dimethyl- NZ_CCID: 1-Hydroxy-2,4-dimethylbenzene, Phenol, 2,4-dimethyl-, m-Xylenol
105-67-9
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/15-meti-0025e.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-information-database-ccid/view/1482CCF7-1FF3-4030-A317-B48A7FF08DC5
JP_CHRIP: Because it is reported that in a skin irritation test with rabbits, corrosive action was observed on application of this substance (EPA Pesticide RED (1994)), and it is described in multiple pieces of literature that this substance is corrosive to the skin (Environmental Risk Assessment for Chemical Substances Vol.5 (Ministry of the Environment, 2006), EPA Pesticide Fact Sheet (1994)), the substance was classified in Category 1. In addition, this substance was classified as "Skin. Corr. 1B H314" in the EU CLP classification (ECHA CL Inventory (Access on October 2015)). NZ_CCID: Skin Irritation R-PHRASE: R 34 Causes burns. [N-CLASS] Eye Irritation EXPERT JUDGEMENT: Assume it will be as corrosive to eyes as it is corrosive to skin.
null
JP_CHRIP, KR_NCIS, NZ_CCID
3
Cc1ccc(O)c(C)c1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.606D
J-GLOBAL
Cc1ccc(O)c(C)c1
Train
EU_REACH: dodecanoyl dodecaneperoxoate JP_CHRIP: dilauroyl peroxide
JP_CHRIP: bis(1-Oxododecyl)peroxide didodecanoyl peroxide Lauroyl peroxide Peroxide, bis(1-oxododecyl) Peroxide, didodecanoyl
105-74-8
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/2224/7/4/2/?documentUUID=b567389c-23c7-4a9f-9b72-98962fb7ee46 JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/08-mhlw-0156e.html
EU_REACH: Experimental study (OECD TG 404, GLP) JP_CHRIP: Since rabbit tests found that the substance causes no irritation (DFGOT vol. 3 (1992)), it was classified into the "Not classified" category.
Provided
EU_REACH, JP_CHRIP
2
CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.853C
J-GLOBAL
CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC
Train
EU_REACH: dibutyl but-2-enedioate
null
105-75-9
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/2056/7/4/2/?documentUUID=d48e8f07-c579-49cd-8ee4-64fc4828e864
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CCCCOC(=O)/C=C/C(=O)OCCCC
https://pubchem.ncbi.nlm.nih.gov/compound/5271570
PubChem
CCCCOC(=O)/C=C/C(=O)OCCCC
Train
JP_CHRIP: 1-(6-Chloro-3-pyridylmethyl)-N-nitroimidazolidin-2-ylidenamine; Imidacloprid
null
105827-78-9
0NC
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/19-mhlw-2074e.html
JP_CHRIP: [Rationale for the Classification] Based on (1), it was classified as "Not classified." [Evidence Data] (1) The mean scores at 24/48/72 hours were all 0 in a skin irritation test with rabbits according to OECD TG 404, and it was concluded to be non-irritating (A pesticide abstract and evaluation report (Food and Agricultural Materials Inspection Center, 2013), Risk Assessment Report (Pesticides) (Food Safety Commission of Japan, 2016)).
Provided
JP_CHRIP
1
[O-][N+](=O)N=C1NCCN1Cc1ccc(Cl)nc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J452.024F
J-GLOBAL
O=[N+]([O-])N=C1NCCN1Cc1ccc(Cl)nc1
Train
NZ_CCID: 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-
NZ_CCID: N,N-Bis(3-aminopropyl) methylamine
105-83-9
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/EB33CDC0-B5F4-49D8-BBA7-7F0A09C8FE22
NZ_CCID: Skin Irritation R PHRASE: R 34 [ECB] Eye Irritation R PHRASE: R 34 [ECB]
null
NZ_CCID
1
CN(CCCN)CCCN
https://pubchem.ncbi.nlm.nih.gov/compound/7777
PubChem
CN(CCCN)CCCN
Train
EU_REACH: 2-phenoxyethyl methacrylate
null
10595-06-9
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/21714/7/4/2/?documentUUID=c0f6ce93-ace5-4a47-a9ea-ab8c9cf633dc
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC(=C)C(=O)OCCOC1=CC=CC=C1
https://pubchem.ncbi.nlm.nih.gov/compound/66357
PubChem
C=C(C)C(=O)OCCOc1ccccc1
Train
EU_REACH: 1,4-dioxacycloheptadecane-5,17-dione
null
105-95-3
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14715/7/4/2/?documentUUID=34a46e3c-ed96-4d8f-a5d9-15902b4451fd
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1CCCCCC(=O)OCCOC(=O)CCCCC1
https://pubchem.ncbi.nlm.nih.gov/compound/61014
PubChem
O=C1CCCCCCCCCCCC(=O)OCCO1
Train
EU_REACH: 1-oxacyclohexadecan-2-one
null
106-02-5
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5937/7/4/2/?documentUUID=c7079faa-1c96-4f65-a564-eb79b91dcbb9
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C1CCCCCCCOC(=O)CCCCCC1
https://pubchem.ncbi.nlm.nih.gov/compound/235414
PubChem
O=C1CCCCCCCCCCCCCCO1
Train
EU_REACH: carbendazim JP_CHRIP: carbendazim(ISO)
JP_CHRIP: 1H-Benzimidazol-2-ylcarbamic acid methyl ester 1H-Benzimidazole-2-carbamic acid, methyl ester 2-methoxycarbonylamino-benzimidazole Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester Carbendazim Carbendazol Methyl (1H-benzimidazol-2-yl)carbamate methyl benzimidazole-2-yl-carbamate Methyl benzimidazole-2-ylcarbamate
10605-21-7
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/27856/7/4/2/?documentUUID=48616375-3c22-4a1f-b4ca-26f7a4d9aae2 JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/07-meti-0015e.html
EU_REACH: Experimental study (OECD TG 404, GLP) JP_CHRIP: Since EHC149 (1993) states, "There is no skin irritation, because no irritation was observed in all of the 4 hour applications of 2.5g to rabbits in 4, 24, 48 and 72 hours," it was classified into "Not classified".
Provided
EU_REACH, JP_CHRIP
2
COC(=O)Nc1nc2ccccc2[nH]1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.120H
J-GLOBAL
COC(=O)Nc1nc2ccccc2[nH]1
Train
KR_NCIS: Bis(2-ethylhexyl)amine NZ_CCID: Bis(2-ethylhexyl) amine
KR_NCIS: 1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)-; 2,2'-Diethyldihexylamine; 2-Ethyl-N-(2-ethylhexyl)hexan-1-amine; Bis(2-ethylhexyl)amine; Di(2-ethylhexyl)amine; Di-(2-Ethylhexyl)-amine; Di-2-ethylhexylamine; Dihexylamine, 2,2'-diethyl-; N,N-Bis(2-ethylhexyl)amine NZ_CCID: bis(2-ethylhexyl)amine
106-20-7
1Cat 1
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-information-database-ccid/view/2044B219-353C-469E-AC08-3CB6CA325CB3
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
KR_NCIS, NZ_CCID
2
CCCCC(CC)CNCC(CC)CCCC
https://pubchem.ncbi.nlm.nih.gov/compound/7791
PubChem
CCCCC(CC)CNCC(CC)CCCC
Train
JP_CHRIP: Butyric anhydride NZ_CCID: Butyric anhydride
null
106-31-0
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/10-mhlw-0160e.html NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/379EB139-75D2-4CD4-A5C4-83F2450146C8
JP_CHRIP: It was described in the human case that the substance caused skin irritation by contact with vapor (HSDB (2002)). And as for the information of n-butyric acid it was reported that in the guinea pig test (occlusive application with 10mg for 24 hours, non-occlusive application with 500mg for 24 hours), severe reactions were observed (PATTY, 5th (2001)). And it was also reported that in the rabbit test (OECD TG404, GLP-compliant), corrosive effects were observed (IUCLID (2000)). Based on these documents, the substance was classified as Category 1. NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
Provided
JP_CHRIP, NZ_CCID
2
CCCC(=O)OC(=O)CCC
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.050D
J-GLOBAL
CCCC(=O)OC(=O)CCC
Train
EU_REACH: 2,4,8,10-tetra(tert-butyl)-6-hydoroxy-12H-dibenzo[d,g] [1,3,2]dioxaphosphocin, 6-oxide
null
106396-29-6
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/28016/7/4/2/?documentUUID=10b98ccc-93b5-4e4a-ba2c-1bb2e1a9cfad
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(=O)(OC3=C(C2)C=C(C=C3C(C)(C)C)C(C)(C)C)O
https://pubchem.ncbi.nlm.nih.gov/compound/174427
PubChem
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(=O)(O)Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)C2
Train
AU_HCIS: p-cresol [1] JP_CHRIP: p-Cresol KR_NCIS: 4-Methylphenol NZ_CCID: 4-Cresol US_HSDB: p-CRESOL
AU_HCIS: o-cresol [2] p-cresol [3] mix-cresol [4] Phenol, 4-methyl- p-cresol o-cresol mix-cresol JP_CHRIP: 4-Hydroxy-1-methylbenzene 4-Methylphenol cresol p-cresol p-Cresol; 4-Methylphenol para-Hydroxytoluene Phenol, 4-methyl- KR_NCIS: 1-Hydroxy-4-methylbenzene; 1-Methyl-4-hydroxybenzene; 4-Cresol; 4-Hydroxy-1-methylbenzene; 4-Hydroxytoluene; CRESOL, P-; p-Cresol; p-Hydroxytoluene NZ_CCID: p-Cresol
106-44-5
1Cat 1
AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=1068 JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/14-mhlw-2033e.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-information-database-ccid/view/9E52F8E5-0163-4C72-9E07-F0EF50369828 US_HSDB: https://pubchem.ncbi.nlm.nih.gov/source/hsdb/1814
JP_CHRIP: There is a report that after occlusive application of 0.5 mL of the undiluted liquid of this substance for 4 hours to rabbits, corrosivity (2/6 animals) was observed (EHC 168 (1995), Initial Risk Assessment Report (NITE, CERI, NEDO, 2008), SIDS (2005)). In another study, there is a report that after application of the undiluted liquid of this substance to rabbits, severe erythema and edema occurred within 24 hours and did not disappear within 72 hours (SIDS (2001)). From the above results, it was classified in Category 1. Besides, this substance was classified in "C; R34" in EU DSD classification and in "Skin Corr. 1B" in EU CLP classification. NZ_CCID: Skin Irritation R PHRASE: R 38 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
AU_HCIS, JP_CHRIP, KR_NCIS, NZ_CCID, US_HSDB
5
Cc1ccc(O)cc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.185A
J-GLOBAL
Cc1ccc(O)cc1
Train
JP_CHRIP: 4-chlorophenol
JP_CHRIP: 4-Chloro-1-hydroxybenzene 4-Chlorophenol 4-Hydroxychlorobenzene 4-Monochlorophenol p-Chlorophenol
106-48-9
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/08-mhlw-0031e.html
JP_CHRIP: Since the substance was corrosive in topical application tests using rabbits (ATSDR (1999)), it was classified into Category 1.
null
JP_CHRIP
1
Oc1ccc(Cl)cc1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.611K
J-GLOBAL
Oc1ccc(Cl)cc1
Train
EU_REACH: N-(4-{[3-(dimethylamino)propyl]sulfamoyl}phenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamide
null
1065519-44-9
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1176/7/4/2/?documentUUID=09306093-c9df-4f98-8c9b-ca7830cd14db
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CC(=O)C(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCCN(C)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC
https://pubchem.ncbi.nlm.nih.gov/compound/91997932
PubChem
COc1cc([N+](=O)[O-])ccc1N=NC(C(C)=O)C(=O)Nc1ccc(S(=O)(=O)NCCCN(C)C)cc1
Train
NZ_CCID: 1,4-Dimethylpiperazine
null
106-58-1
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/37A2C430-87EF-450C-9EBF-C93A919797BE
NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
NZ_CCID
1
CN1CCN(CC1)C
https://pubchem.ncbi.nlm.nih.gov/compound/7818
PubChem
CN1CCN(C)CC1
Train
EU_REACH: dimethyl succinate JP_CHRIP: Dimethyl succinate
null
106-65-0
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15043/7/4/2/?documentUUID=c01039dd-200a-4016-9398-0745284d5d44 JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0077e.html
EU_REACH: Experimental study (OECD TG 404, GLP) JP_CHRIP: It was classified as "Not classified" because the average irritation score was 0.0 in a test by a 4-hour application to the skin of six rabbits (EPA 40CFR 798.4470, GLP), and there was no irritation (USEPA/HPV (2001)).
Provided
EU_REACH, JP_CHRIP
2
COC(=O)CCC(=O)OC
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.244A
J-GLOBAL
COC(=O)CCC(=O)OC
Train
EU_REACH: methyl hexanoate
null
106-70-7
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5296/7/4/2/?documentUUID=38d53c6f-1ac0-48f8-9589-f03562963f60
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
CCCCCC(=O)OC
https://pubchem.ncbi.nlm.nih.gov/compound/7824
PubChem
CCCCCC(=O)OC
Train
EU_REACH: ethenyl-tris(2-methoxyethoxy)silane
null
1067-53-4
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14177/7/4/2/?documentUUID=7bb0a8d1-2375-4804-8be9-a466e98ad1af
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
COCCO[Si](C=C)(OCCOC)OCCOC
https://pubchem.ncbi.nlm.nih.gov/compound/14025
PubChem
C=C[Si](OCCOC)(OCCOC)OCCOC
Train
EU_REACH: 2-{2-[(2-chloroacetyl)oxy]ethoxy}ethyl 2-chloroacetate
null
106-78-5
0NC
EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26885/7/4/2/?documentUUID=a0b4551c-c1af-4ec9-8fbf-2d07cb9d96a4
EU_REACH: Experimental study (OECD TG 404, GLP)
Provided
EU_REACH
1
C(COC(=O)CCl)OCCOC(=O)CCl
https://pubchem.ncbi.nlm.nih.gov/compound/15376062
PubChem
O=C(CCl)OCCOCCOC(=O)CCl
Train
AU_HCIS: Oxirane, (chloromethyl)- JP_CHRIP: Epichlorohydrin KR_NCIS: Epichlorohydrin NZ_CCID: Oxirane, (chloromethyl)-
AU_HCIS: 1-chloro-2,3-epoxypropane epichlorhydrin JP_CHRIP: 1-Chloro-2,3-epoxypropane .alpha.-Epichlorohydrin 1,2-Epoxy-3-chloropropane 1-chloro-2,3-epoxypropane 2-Chloropropylene oxide Epichlorohydrin gamma-Chloropropylene oxide KR_NCIS: 1-Chloro-2,3-epoxypropane NZ_CCID: (Chloromethyl) ethylene oxide, 1,2-Epoxy-3-chloropropane, 1-Chloro-2,3-epoxypropane, 2,3-Epoxypropyl chloride, 2-(Chloromethyl) oxirane, 3-Chloro-1,2-epoxypropane, 3-Chloro-1,2-propylene oxide, 3-Chloropropene-1,2-oxide, 3-Chloropropylene oxide, Chloromethyloxirane, Chloropropylene oxide, Epichlorhydrin, Epichlorohydrin, Glycerol epichlorhydrin, Glycerol epichlorohydrin, Glycidyl chloride, Propane, 1-chloro-2,3-epoxy-
106-89-8
1Cat 1
AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=3325 JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/09-mhlw-2073e.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-information-database-ccid/view/E4B8D5F2-D32E-4D09-92E3-873F726B1F4B
JP_CHRIP: In a rabbit skin irritation test, in which a stock solution of the substance was applied for 2 - 24-hour, severe irritation and necrosis were observed (Hazard Assessment Report (CERI, NITE) No. 74 (2004)). In accidental cases of occupational exposure, effects such as skin ulcer, erosion and burns are reported (Hazard Assessment Report (CERI, NITE) No. 74 (2004), ACGIH (7th, 2001)). The substance is classified into C; R34 in EU classification. Based on these information, the substance was classified into Category 1. NZ_CCID: Skin Irritation SPECIES: Rabbit RESULT: Highly irritating REFERENCE SOURCE: Shell Nederland Chemie B.V. Hoogvliet-Rotterdam (74)(74) Pallade S., Dorobantu M., Gabrielescu E. (1967), "Etude experimentale de lintoxication par lepichlorhydrine", Arch. Mal. Prof. Med. Trav., 28, 505-16. [IUCLID 2000] REMARK: EC Classification = Corrosive (causes burns). Eye Irritation SPECIES: Rabbit RESULT: Corrosive REFERENCE SOURCE: Shell Nederland Chemie B.V. Hoogvliet-Rotterdam (76)(76) Weil C.S., Condra N., Haun C., Striegel J.A. (1963), "Experimental carcinogenicity and acute toxicity of representative epoxides", Am. Ind. Hyg. Ass. J., 24, 305-25. [IUCLID 2000]
null
AU_HCIS, JP_CHRIP, KR_NCIS, NZ_CCID
4
ClCC1CO1
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.037A
J-GLOBAL
ClCC1CO1
Train
KR_NCIS: Glycidyl acrylate
KR_NCIS: 2,3-Epoxypropyl acrylate; 2-Propenoic acid, 2-oxiranylmethyl ester; Acrylic acid, 2,3-epoxypropyl ester; Acrylic acid, glycidyl ester; Epoxypropyl acrylate; Glycidyl acrylate; Glycidyl propenate; Oxiran-2-ylmethyl prop-2-enoate
106-90-1
1Cat 1
KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances"
null
null
KR_NCIS
1
C=CC(=O)OCC1CO1
https://pubchem.ncbi.nlm.nih.gov/compound/7836
PubChem
C=CC(=O)OCC1CO1
Train
NZ_CCID: 2,5-Pyrrolidinedione, 3-dodecyl-1-(1,2,2,6,6-pentamethyl-4-piperidinyl)-
null
106917-30-0
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/DAEDE003-0744-42F3-90BA-2DEA8747D602
NZ_CCID: Skin Irritation SPECIES: RESULT: The material may cause Skin Irritation after prolonged or repeated exposure and may produce on contact skin redness, swelling, the production of vesicles, scaling and thickening of the skin. REFERENCE SOURCE: [CHEMWATCH] REMARK: UN 2922 class 8 PG III Eye Irritation SPECIES: RESULT: The material may be irritating to the eye, with prolonged contact causing inflammation. Repeated or prolonged exposure to irritants may produce conjunctivitis. REFERENCE SOURCE: [CHEMWATCH] R-PHRASE: R 35 Causes severe burns. [ECB - Annex 1]
null
NZ_CCID
1
CCCCCCCCCCCCC1CC(=O)N(C1=O)C2CC(N(C(C2)(C)C)C)(C)C
https://pubchem.ncbi.nlm.nih.gov/compound/86098
PubChem
CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O
Train
NZ_CCID: Piperidine, 1-acetyl-4-(3-dodecyl-2,5-dioxo-1-pyrrolidinyl)-2,2,6,6-tetramethyl-
null
106917-31-1
1Cat 1
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/3E5DFD7A-7EF8-445D-9C6B-1123419FB72D
NZ_CCID: Skin Irritation R PHRASE: R 34 [CHEMWATCH] Eye Irritation R PHRASE: R 41 [CHEMWATCH]
null
NZ_CCID
1
CCCCCCCCCCCCC1CC(=O)N(C1=O)C2CC(N(C(C2)(C)C)C(=O)C)(C)C
https://pubchem.ncbi.nlm.nih.gov/compound/3034263
PubChem
CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)C1=O
Train
JP_CHRIP: 3-Bromo-1-propene KR_NCIS: 3-Bromo-1-propene NZ_CCID: 3-Bromo-1-propene
JP_CHRIP: Allyl bromide Allyl bromide 3-Bromo-1-propene 3-bromoprop-1-ene (synonym:3-bromo-1-propene or allyl bromide) NZ_CCID: allyl bromide
106-95-6
1Cat 1
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/15-mhlw-0023e.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-information-database-ccid/view/08B655B6-01A6-4606-BCD8-39F3698BA99C
JP_CHRIP: In a skin irritation test using mice, after application of 0.5 mL of this substance (99%) for 3 minutes or 4 hours, erythema and edema were observed after 3-minute application, and erythema did not resolve during an observation period (7 days). A 4-hour application group showed erythema and edema which did not resolve during an observation period, and one animal showed tissue destruction and was killed (ECETOC TR66 (1995)). Besides, it is written that this substance is severely irritating to skin (HSDB (Access on June 2015)). From the above results, it was judged to be classified in Category 1. NZ_CCID: Skin Irritation R PHRASE: R 34 [Company Data] Eye Irritation R PHRASE: R 34 [Company Data]
null
JP_CHRIP, KR_NCIS, NZ_CCID
3
BrCC=C
https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.040A
J-GLOBAL
C=CCBr
Train

Attentive Skin

To Predict Skin Corrosion/Irritation Potentials of Chemicals via Explainable Machine Learning Methods Download: https://github.com/BeeBeeWong/AttentiveSkin/releases/tag/v1.0

Quickstart Usage

Load a dataset in python

Each subset can be loaded into python using the Huggingface datasets library. First, from the command line install the datasets library

$ pip install datasets

then, from within python load the datasets library

>>> import datasets

and load one of the AttentiveSkin datasets, e.g.,

>>> Corr_Neg = datasets.load_dataset("maomlab/AttentiveSkin", name = 'Corr_Neg')
Downloading readme: 100%|██████████| 64.0k/64.0k [00:00<00:00, 11.7kkB/s] 
Downloading data: 100%|██████████| 1.02M/1.02M [00:00<00:00, 4.88MkB/s]
Generating test split: 100%|██████████| 181/181 [00:00<00:00, 3189.72examples/s]
Generating train split: 100%|██████████| 1755/1755 [00:00<00:00, 19806.87examples/s] 

and inspecting the loaded dataset

>>> Corr_Neg
DatasetDict({
test: Dataset({
    features: ['Name', 'Synonym', 'CAS RN', 'Y', 'Detailed Page', 'Evidence', 'OECD TG 404', 'Data Source', 'Frequency', 'SMILES', 'SMILES URL', 'SMILES Source', 'Canonical SMILES', 'Split'],
    num_rows: 181
})
train: Dataset({
    features: ['Name', 'Synonym', 'CAS RN', 'Y', 'Detailed Page', 'Evidence', 'OECD TG 404', 'Data Source', 'Frequency', 'SMILES', 'SMILES URL', 'SMILES Source', 'Canonical SMILES', 'Split'],
    num_rows: 1755
})

})

Use a dataset to train a model

One way to use the dataset is through the MolFlux package developed by Exscientia. First, from the command line, install MolFlux library with catboost and rdkit support

pip install 'molflux[catboost,rdkit]'

then load, featurize, split, fit, and evaluate the catboost model

import json
from datasets import load_dataset
from molflux.datasets import featurise_dataset
from molflux.features import load_from_dicts as load_representations_from_dicts
from molflux.splits import load_from_dict as load_split_from_dict
from molflux.modelzoo import load_from_dict as load_model_from_dict
from molflux.metrics import load_suite

split_dataset = load_dataset('maomlab/AttentiveSkin', name = 'Corr_Neg')

split_featurised_dataset = featurise_dataset(
  split_dataset,
  column = "SMILES",
  representations = load_representations_from_dicts([{"name": "morgan"}, {"name": "maccs_rdkit"}]))

model = load_model_from_dict({
    "name": "cat_boost_classifier",
    "config": {
        "x_features": ['SMILES::morgan', 'SMILES::maccs_rdkit'],
        "y_features": ['Y']}})

model.train(split_featurised_dataset["train"])
preds = model.predict(split_featurised_dataset["test"])

classification_suite = load_suite("classification")

scores = classification_suite.compute(
    references=split_featurised_dataset["test"]['Y'],
    predictions=preds["cat_boost_classifier::Y"])

Data splits

Here we have used the Realistic Split method described in (Martin et al., 2018)

AttentiveSkin

To Predict Skin Corrosion/Irritation Potentials of Chemicals via Explainable Machine Learning Methods Download: https://github.com/BeeBeeWong/AttentiveSkin/releases/tag/v1.0

Tutorial

Basic:

AttentiveSkin is a software used for predicting GHS-defined (the Globally Harmonized System of Classification and Labeling of Chemicals) Skin Corrosion/Irritation labels of chemicals. Download and unzip the "AttentiveSkin_v1.0.zip" at the URL above. Place the file "AttentiveSkin.exe" and dir "dependency" in the same directory. Launch the "AttentiveSkin.exe" and wait until the GUI being initialized.

Input:

The input SMILES can be listed to the first column in .txt or .tsv files. User can follow the manner of example in "./example/input.txt". Click the button "Input" to open the text file containing input SMILES.

Output:

The interpretable prediction containing attetion weights will be placed in .html files, while basic info will be written to .xlsx files. Results of the two binary tasks (Corr vs Neg, Irrit vs Neg) are generated separately. Click the button "Output" to select the directory to store the prediction results.

Citation

Cite this: Chem. Res. Toxicol. 2024, 37, 2, 361–373 Publication Date:January 31, 2024 https://doi.org/10.1021/acs.chemrestox.3c00332 Copyright © 2024 American Chemical Society

Contact

Developer: Zejun Huang, incorrectwong11@gmail.com Corresponding author (Prof.): Yun Tang, ytang234@ecust.edu.cn

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