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:
1,1,1,2,2,3,3-heptafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(1,2,2-trifluoroethenyl)oxy]propan-2-yl}oxy)propane | null | 1644-11-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24699/7/4/2/?documentUUID=e315d2e3-5c18-412c-a432-fccd6c44b36c | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C(=C(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/102662 | PubChem | FC(F)=C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F | Train |
EU_REACH:
N-[3-(diethylamino)propyl]-4-[(1E)-2-{2-oxo-1-[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]propyl}diazen-1-yl]benzamide | null | 164578-14-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/31229/7/4/2/?documentUUID=7033ee1c-16aa-42e8-88b8-6ab9166e6c35 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCN(CC)CCCNC(=O)C1=CC=C(C=C1)N=NC(C(=O)C)C(=O)NC2=CC3=C(C=C2)NC(=O)N3 | https://pubchem.ncbi.nlm.nih.gov/compound/57490352 | PubChem | CCN(CC)CCCNC(=O)c1ccc(N=NC(C(C)=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 | Train |
EU_REACH:
3-butoxypropylamine
KR_NCIS:
3-Butoxypropylamine | null | 16499-88-0 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26854/7/4/2/?documentUUID=b2bb62df-5dda-44e6-a4bf-c1b79e65f760
KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances" | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH, KR_NCIS | 2 | CCCCOCCCN | https://pubchem.ncbi.nlm.nih.gov/compound/85461 | PubChem | CCCCOCCCN | Train |
EU_REACH:
3-butyl-2-(heptan-3-yl)-1,3-oxazolidine | null | 165101-57-5 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10626/7/4/2/?documentUUID=d62fc6b0-d89f-4d41-828b-dd25d80f7445 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCC(CC)C1N(CCO1)CCCC | https://pubchem.ncbi.nlm.nih.gov/compound/3297025 | PubChem | CCCCC(CC)C1OCCN1CCCC | Train |
EU_REACH:
1-(cyclopropylmethyl)-4-methoxybenzene | null | 16510-27-3 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/9760/7/4/2/?documentUUID=4630094e-73e7-4c87-8220-1f67e6c4459c | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC1=CC=C(C=C1)CC2CC2 | https://pubchem.ncbi.nlm.nih.gov/compound/6422476 | PubChem | COc1ccc(CC2CC2)cc1 | Train |
EU_REACH:
(2S)-2-[(1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-3-azahexacyclo[13.2.2.1²,⁸.0¹,⁶.0⁶,¹⁴.0⁷,¹²]icosa-7,9,11-trien-16-yl]-3,3-dimethylbutan-2-ol | null | 16524-65-5 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24919/7/4/2/?documentUUID=66cdde11-6486-4711-a325-dcf65d7cd412 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)CC7CC7)OC)(C(C)(C)C)O | https://pubchem.ncbi.nlm.nih.gov/compound/14949395 | PubChem | COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4[C@](C)(O)C(C)(C)C)[C@@H](C2)N(CC2CC2)CC[C@]315 | Train |
JP_CHRIP:
1-Methyl-2-nitro-3-[(3-tetrahydrofuryl)methyl]guanidine; Dinotefuran | null | 165252-70-0 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/20-meti-0033e.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, 4-hour application, 72-hour observation), very slight erythema was observed in 3 animals at 30 minutes after the removal of patches and one after 24 hours but fully disappeared after 48 hours (erythema/eschar score: 0/0/0/0/0/0.3, edema score: 0/0/0/0/0/0) (JMPR (2012), REACH registration dossier (Accessed Sep. 2020), A pesticide abstract and evaluation report (Food and Agricultural Materials Inspection Center, 2018)). | Provided | JP_CHRIP | 1 | CNC(=N[N+](=O)[O-])NCC1CCOC1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.067.656H | J-GLOBAL | CNC(=N[N+](=O)[O-])NCC1CCOC1 | Train |
NZ_CCID:
Malonyl dichloride | null | 1663-67-8 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/AA6C7B98-3DE8-4579-8893-44387327F857 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C(C(=O)Cl)C(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/74269 | PubChem | O=C(Cl)CC(=O)Cl | Train |
EU_REACH:
docosyl methacrylate | null | 16669-27-5 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20681/7/4/2/?documentUUID=dc913f52-456e-4844-96b6-92e6a9d2bedb | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C | https://pubchem.ncbi.nlm.nih.gov/compound/3034258 | PubChem | C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCCCC | Train |
JP_CHRIP:
Ethephon | null | 16672-87-0 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/11-mhlw-0056e.html | JP_CHRIP:
Because corrosive to this substance proven by spots of necrosis and edema in 4 out of 6 animals and contact erythema in 6 animals observed after an application of 0.5 mL of a water solution to rabbit skins for one to four hours was reported (JMPR 861 (1993)), and a pH about 1 of this substance was described (Sax (11th, 2004)), it was classified in Category 1. | null | JP_CHRIP | 1 | OP(=O)(O)CCCl | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.864C | J-GLOBAL | O=P(O)(O)CCCl | Train |
EU_REACH:
Phosphinic acid, P-[3-(acetyloxy)-3-cyanopropyl]-P-methyl-, butyl ester | null | 167004-78-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/33703/7/4/2/?documentUUID=af43a141-1efb-4780-8579-e2446274c9e2 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCOP(=O)(C)CCC(C#N)OC(=O)C | https://pubchem.ncbi.nlm.nih.gov/compound/44145865 | PubChem | CCCCOP(C)(=O)CCC(C#N)OC(C)=O | Train |
EU_REACH:
methyl (2E)-2-{2-[(2,5-dimethylphenoxy)methyl]phenyl}-2-(methoxyimino)acetate | null | 167374-38-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/3001/7/4/2/?documentUUID=57915678-b8b6-4599-b33e-1a748f35c6d5 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC | https://pubchem.ncbi.nlm.nih.gov/compound/15346094 | PubChem | CO/N=C(/C(=O)OC)c1ccccc1COc1cc(C)ccc1C | Train |
EU_REACH:
(E)-[1-(methylsulfanyl)ethylidene]amino N-methylcarbamate
JP_CHRIP:
Methomyl | JP_CHRIP:
Ethanimidothioic acid, N-[[(methylamino)carbonyl]oxy]-, methyl ester
Ethanimidothioic acid, N-{{(methylamino)carbonyl}oxy}-, methyl ester
Methomyl
Methyl N-{(methylamino)carbonyloxy}ethanimidothioate
S-Methyl N-[(methylcarbamoyl)oxy]thioacetimidate
S-Methyl-N-(methylcarbamoyloxy)thioacetimidate | 16752-77-5 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/30946/7/4/2/?documentUUID=9bcc0e07-b791-4676-aa55-4e97a83a2aa9
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/06-imcg-0613e.html | EU_REACH:
Experimental study (OECD TG 404, GLP)
JP_CHRIP:
Since it was judged to have no stimulativeness in the skin irritation test on rabbits (Agricultural-Chemicals abstracts), it was classified as out of Category. | Provided | EU_REACH, JP_CHRIP | 2 | CNC(=O)ON=C(C)SC | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.448G | J-GLOBAL | CNC(=O)ON=C(C)SC | Train |
JP_CHRIP:
Ethylcyclohexane | JP_CHRIP:
ethylcyclohexane | 1678-91-7 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/19-mhlw-2085e.html | JP_CHRIP:
[Rationale for the Classification]
Based on (1), it was classified as "Not classified."
[Evidence Data]
(1) In a skin irritation test with rabbits according to OECD TG 404, the mean scores at 24/48/72 hours were all 0 (REACH registration dossier (Access on October 2019)). | Provided | JP_CHRIP | 1 | CCC1CCCCC1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.538D | J-GLOBAL | CCC1CCCCC1 | Train |
EU_REACH:
dioctyl carbonate | null | 1680-31-5 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15695/7/4/2/?documentUUID=48a24014-6376-47af-9773-923c0d6e361a | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCCCCCOC(=O)OCCCCCCCC | https://pubchem.ncbi.nlm.nih.gov/compound/9904000 | PubChem | CCCCCCCCOC(=O)OCCCCCCCC | Train |
NZ_CCID:
2-Tetrahydrofuran carboxylic acid | NZ_CCID:
tetrahydro-2-furoic acid | 16874-33-2 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/3D6E1095-7C05-4064-9177-91971EC9E225 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C1CC(OC1)C(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/86079 | PubChem | O=C(O)C1CCCO1 | Train |
EU_REACH:
3,3-dimethylbutyryl chloride | null | 1694-31-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19761/7/4/2/?documentUUID=be28c706-2489-4494-9c34-a3dddf7f9fec | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(=O)CC(=O)OC(C)(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/15538 | PubChem | CC(=O)CC(=O)OC(C)(C)C | Train |
EU_REACH:
N-(2-ethylhexyl)-3,5,5-trimethylhexanamide | null | 1700656-13-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/25255/7/4/2/?documentUUID=cf3d0bcb-e582-420a-a487-1dfbe0598e96 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCC(CC)CNC(=O)CC(C)CC(C)(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/154734376 | PubChem | CCCCC(CC)CNC(=O)CC(C)CC(C)(C)C | Train |
EU_REACH:
N,N'-dibutyl-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine | null | 1702355-94-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18891/7/4/2/?documentUUID=f36e9c5a-0d0e-4819-82d6-57bdaae7e380 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCN(C1CC(N(C(C1)(C)C)C)(C)C)C2=NC(=NC(=N2)N3CCCC3)N(CCCC)C4CC(N(C(C4)(C)C)C)(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/118030570 | PubChem | CCCCN(c1nc(N2CCCC2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1 | Train |
EU_REACH:
3-{2,2,6,6-tetramethyl-4-[(trimethylsilyl)oxy]-3,5-dioxa-2,4,6-trisilaheptan-4-yl}propyl 2-methylprop-2-enoate | null | 17096-07-0 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/23711/7/4/2/?documentUUID=fee2c1a3-d0f1-4cec-b4e5-5c8104689bf8 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(=C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/123371 | PubChem | C=C(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C | Train |
NZ_CCID:
3-Fluorobenzoyl chloride | null | 1711-07-5 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/937B3B2E-B785-480B-9E17-5A3E585C18AD | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C1=CC(=CC(=C1)F)C(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/74376 | PubChem | O=C(Cl)c1cccc(F)c1 | Train |
NZ_CCID:
3-Bromobenzoyl chloride | null | 1711-09-7 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/E0E6A273-F72D-4F5E-A4B6-A3FE2D971A11 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [CHEMWATCH]
Eye Irritation
R PHRASE: R 41 [CHEMWATCH] | null | NZ_CCID | 1 | C1=CC(=CC(=C1)Br)C(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/74377 | PubChem | O=C(Cl)c1cccc(Br)c1 | Train |
NZ_CCID:
Dichlorodiethylsilane | null | 1719-53-5 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/180592D1-B3B7-4D90-8594-903EEA3BFF4A | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CC[Si](CC)(Cl)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/15589 | PubChem | CC[Si](Cl)(Cl)CC | Train |
NZ_CCID:
Chloromethyldimethylchlorosilane | NZ_CCID:
chloro(chloromethyl)dimethylsilane | 1719-57-9 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/6707F26B-1C8A-4A5C-A208-095EF77C8BA1 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C[Si](C)(CCl)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/74393 | PubChem | C[Si](C)(Cl)CCl | Train |
KR_NCIS:
Chloroethenyldimethylsilane | null | 1719-58-0 | 1 | KR_NCIS: https://ncis.nier.go.kr/en/main.do, button "Hazardous chemical substances" | null | null | KR_NCIS | 1 | C[Si](C)(C=C)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/519368 | PubChem | C=C[Si](C)(C)Cl | Train |
EU_REACH:
4'-[(diphenoxyphosphoryl)oxy]-[1,1'-biphenyl]-4-yl diphenyl phosphate | null | 17270-01-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7393/7/4/2/?documentUUID=bc5e1914-9bf3-4efa-ac12-74a69001a9f6 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)C4=CC=C(C=C4)OP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6 | https://pubchem.ncbi.nlm.nih.gov/compound/12039854 | PubChem | O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(-c2ccc(OP(=O)(Oc3ccccc3)Oc3ccccc3)cc2)cc1 | Train |
EU_REACH:
(6-hydroxynaphthalen-2-yl)boronic acid | null | 173194-95-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/7159/7/4/2/?documentUUID=c8ddcecd-5cb7-4fd8-972c-5ae9a1603e77 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | B(C1=CC2=C(C=C1)C=C(C=C2)O)(O)O | https://pubchem.ncbi.nlm.nih.gov/compound/4349738 | PubChem | OB(O)c1ccc2cc(O)ccc2c1 | Train |
EU_REACH:
(2-methylpropylidene)[(3-{[(2-methylpropylidene)amino]methyl}cyclohexyl)methyl]amine | null | 173904-11-5 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10659/7/4/2/?documentUUID=1a0a4d88-2e1e-49e5-b49b-f5b1940eda8e | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)C=NCC1CCCC(C1)CN=CC(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/132472057 | PubChem | CC(C)C=NCC1CCCC(CN=CC(C)C)C1 | Train |
EU_REACH:
2-methylbenzene-1,4-diyl bis{4-[3-(acryloyloxy)propoxy]benzoate} | null | 174063-87-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/29950/7/4/2/?documentUUID=6ab5bfec-2f9e-4047-8fd2-06fa4d475b38 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCOC(=O)C=C | https://pubchem.ncbi.nlm.nih.gov/compound/20807398 | PubChem | C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCOC(=O)C=C)cc3)c(C)c2)cc1 | Train |
EU_REACH:
1-ethoxy-2,3-difluoro-4-[(1s,4r)-4-propylcyclohexyl]benzene | null | 174350-05-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/22010/7/4/2/?documentUUID=b03e0835-e5a6-4dd7-9cde-27d5258675e0 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCC1CCC(CC1)C2=C(C(=C(C=C2)OCC)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/19103501 | PubChem | CCCC1CCC(c2ccc(OCC)c(F)c2F)CC1 | Train |
EU_REACH:
1-decene, dimer | null | 17438-89-0 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/8881/7/4/2/?documentUUID=9cd8b6fc-263b-411c-97f9-6ec1b4470871 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCCCCCC(C)CCCCCCCCC=C | https://pubchem.ncbi.nlm.nih.gov/compound/22833390 | PubChem | C=CCCCCCCCCC(C)CCCCCCCC | Train |
NZ_CCID:
2-Allylphenol | null | 1745-81-9 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/4EBAEBCF-4296-43C2-B256-AF9086D8652C | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C=CCC1=CC=CC=C1O | https://pubchem.ncbi.nlm.nih.gov/compound/15624 | PubChem | C=CCc1ccccc1O | Train |
AU_HCIS:
Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propen-1-yl)- | null | 1745-89-7 | 1 | AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=3454 | null | null | AU_HCIS | 1 | CC(C)(C1=CC(=C(C=C1)O)CC=C)C2=CC(=C(C=C2)O)CC=C | https://pubchem.ncbi.nlm.nih.gov/compound/74457 | PubChem | C=CCc1cc(C(C)(C)c2ccc(O)c(CC=C)c2)ccc1O | Train |
EU_REACH:
4-amino-N-(4-amino-6-oxo-5H-pyrimidin-2-yl)benzenesulfonamide | null | 174863-37-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/21336/7/4/2/?documentUUID=47955e99-4209-49c5-9230-05b3ec16b723 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1C(=N/C(=N\S(=O)(=O)C2=CC=C(C=C2)N)/NC1=O)N | https://pubchem.ncbi.nlm.nih.gov/compound/154734778 | PubChem | NC1=N/C(=N\S(=O)(=O)c2ccc(N)cc2)NC(=O)C1 | Train |
EU_REACH:
1-{5-[(dimethylcarbamoyl)amino]-2-methylphenyl}-3,3-dimethylurea | null | 17526-94-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12195/7/4/2/?documentUUID=e168413b-bde9-47e4-a819-5659befded08 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C=C(C=C1)NC(=O)N(C)C)NC(=O)N(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/87146 | PubChem | Cc1ccc(NC(=O)N(C)C)cc1NC(=O)N(C)C | Train |
EU_REACH:
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl prop-2-enoate | null | 17527-29-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15839/7/4/2/?documentUUID=c172a224-99fa-41ee-9fd0-f9c5617d6df9 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C=CC(=O)OCCC(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/87149 | PubChem | C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | Train |
EU_REACH:
3-phenyl-2-(undec-10-enamido)propanoic acid | null | 175357-18-3 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/23617/7/4/2/?documentUUID=46a1e8f4-7984-45dc-828a-2221f2774f58 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C=CCCCCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/10308702 | PubChem | C=CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O | Train |
NZ_CCID:
Cyclopropanecarboxylic acid | null | 1759-53-1 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/9BE7C48D-3217-4B2E-BED8-C702045223CB | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | C1CC1C(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/15655 | PubChem | O=C(O)C1CC1 | Train |
EU_REACH:
N-(3-(trimethoxysilyl)propyl)ethylenediamine | null | 1760-24-3 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15039/7/4/2/?documentUUID=02a7bb66-dbb2-444c-ab0d-344e7246e75d | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CO[Si](CCCNCCN)(OC)OC | https://pubchem.ncbi.nlm.nih.gov/compound/15659 | PubChem | CO[Si](CCCNCCN)(OC)OC | Train |
JP_CHRIP:
4,4'-Methylenebis(cyclohexan-1-amine)
NZ_CCID:
Cyclohexanamine, 4,4'-methylenebis- | JP_CHRIP:
Bis (4-aminocyclohexyl) methane
NZ_CCID:
Bis(4)aminocyclohexyl)methane, Bis(p–aminocyclohexyl)methane, Dicyclohexylmethane–4,4’–diamine | 1761-71-3 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/19-mhlw-0025e.html
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/E513BE0A-1513-427F-97F8-9EC909608C6F | JP_CHRIP:
[Rationale for the Classification]
Based on (1)-(3), it was classified in Category 1B-C.
[Evidence Data]
(1) In a skin irritation test with rabbits according to OECD TG 404, the 3-minute exposure did not result in necrosis at the 1-hour observation period, but one out of three animals exhibited necrosis at the 24-hour observation. The 2.75-hour exposure resulted in necrosis by the 1-hour post exposure observation (REACH registration dossier (Access on November 2019)).
(2) This substance is considered to be severely irritating to corrosive to the skin and eyes (GESTIS (Access on September 2019)).
(3) This substance is also considered to be corrosive since all of its analogues are corrosive substances (SIDS (2016)).
NZ_CCID:
Skin Irritation
SPECIES: Guinea pig
RESULT: 10% and 5% solutions resulted in strong irritation to intact skin in young animals.
REFERENCE SOURCE: http://yosemite.epa.gov/oppts/epatscat8.nsf/ReportSearchView/F6677772F9B9C1418525693100226A82
REMARK: Strong irritant at 10% indicates more severe effect at higher concentration.
Eye Irritation
SPECIES: Rabbit
RESULT: Corrosive
REFERENCE SOURCE: http://yosemite.epa.gov/oppts/epatscat8.nsf/ReportSearchView/03647C452583AA1985256930004CD220 | Provided | JP_CHRIP, NZ_CCID | 2 | NC1CCC(CC2CCC(N)CC2)CC1 | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.629C | J-GLOBAL | NC1CCC(CC2CCC(N)CC2)CC1 | Train |
EU_REACH:
ethylsilanetriyl triacetate
JP_CHRIP:
Ethyltriacetoxysilane | JP_CHRIP:
Ethyltriacetoxysilane; Ethyltriacetoxysilane | 17689-77-9 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/14224/7/4/2/?documentUUID=583ebd6f-e316-4a5c-9fec-774e43c3f640
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/12-mhlw-0042e.html | EU_REACH:
Experimental study (OECD TG 404, GLP)
JP_CHRIP:
In a test by a 3-minute semi-occlusive application of 0.5 mL of undiluted this substance to the rabbit skin, severe lesions were observed 72 hours after the application in four out of six animals, and reversibility was slight during a 14-day observation period. And the primary dermal irritation index (PDII) was 4.28, and it was judged as corrosive (SIDS (2005)). Therefore, it was classified in Category 1. | Provided | EU_REACH, JP_CHRIP | 2 | CC[Si](OC(=O)C)(OC(=O)C)OC(=O)C | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J266.800I | J-GLOBAL | CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O | Train |
EU_REACH:
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid | null | 176969-34-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12337/7/4/2/?documentUUID=9ab01da2-b5d5-42aa-b51e-a3570844b822 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CN1C=C(C(=N1)C(F)F)C(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/18983008 | PubChem | Cn1cc(C(=O)O)c(C(F)F)n1 | Train |
EU_REACH:
methyl [(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamate | null | 176972-62-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6302/7/4/2/?documentUUID=fbab6cf7-3408-4a13-b48a-5c95fa1b187e | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CCl)O | https://pubchem.ncbi.nlm.nih.gov/compound/10945089 | PubChem | COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CCl | Train |
EU_REACH:
2-methoxy-10H-phenothiazine | null | 1771-18-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18877/7/4/2/?documentUUID=d52ea796-139f-4ca5-9341-86f48d013d64 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC1=CC2=C(C=C1)SC3=CC=CC=C3N2 | https://pubchem.ncbi.nlm.nih.gov/compound/74490 | PubChem | COc1ccc2c(c1)Nc1ccccc1S2 | Train |
EU_REACH:
3-hydroxy-2-(3-hydroxyquinolin-2-yl)-1H-inden-1-one | null | 17772-51-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10225/7/4/2/?documentUUID=8c22e3cc-9c68-4c11-aa56-1a69e0807943 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C2C(=C1)C=C(C(=N2)C3=C(C4=CC=CC=C4C3=O)O)O | https://pubchem.ncbi.nlm.nih.gov/compound/87299 | PubChem | O=C1C(c2nc3ccccc3cc2O)=C(O)c2ccccc21 | Train |
EU_REACH:
9-Octadecenamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-(hydroxymethyl)heptadecyl]-, (9Z)- | null | 178436-06-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24072/7/4/2/?documentUUID=2a18d699-2eed-4056-b1b5-be6ff166fd1b | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCCCCCC/C=C\CCCCCCCC)O)O | https://pubchem.ncbi.nlm.nih.gov/compound/57378373 | PubChem | CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC | Train |
EU_REACH:
Pentaerythritoltetracyanoacetic ester | null | 178671-69-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12629/7/4/2/?documentUUID=5a0e01a6-c304-49f2-a55d-0587150dd0c9 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C(C#N)C(=O)OCC(COC(=O)CC#N)(COC(=O)CC#N)COC(=O)CC#N | https://pubchem.ncbi.nlm.nih.gov/compound/6850853 | PubChem | N#CCC(=O)OCC(COC(=O)CC#N)(COC(=O)CC#N)COC(=O)CC#N | Train |
JP_CHRIP:
Dichloroethylsilane | JP_CHRIP:
Ethyldichlorosilane | 1789-58-8 | 1 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/09-mhlw-0089e.html | JP_CHRIP:
The substance is a severe irritant to skin (HSDB (2003)). Application of chlorosilanes to the skin of rabbits resulted in blanches and blisters in the treated area and the action was more marked the damper surface of skin (HSDB (2003)). The substance was classified into Category 1. | null | JP_CHRIP | 1 | CC[SiH](Cl)Cl | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.476B | J-GLOBAL | CC[SiH](Cl)Cl | Train |
EU_REACH:
2,2,4,6,6-pentamethyl-4-octyl-3,5-dioxa-2,4,6-trisilaheptane | null | 17955-88-3 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/21797/7/4/2/?documentUUID=e25caba2-0aa8-472a-845a-a45b03825cdb | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/87373 | PubChem | CCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C | Train |
EU_REACH:
5,7-Di-t-butyl-3-[3,5-dimethyl-4-[(1,3,7,9-tetra-t-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]-3H-benzofuran-2-one | null | 1803088-15-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/21782/7/4/2/?documentUUID=bd1483e8-618e-4800-9977-cce71a4ccf98 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)OP(OC3=C1C=C(C=C3C(C)(C)C)C(C)(C)C)OC4=C(C=C(C=C4C)C5C6=C(C(=CC(=C6)C(C)(C)C)C(C)(C)C)OC5=O)C | https://pubchem.ncbi.nlm.nih.gov/compound/118320794 | PubChem | Cc1cc(C2C(=O)Oc3c2cc(C(C)(C)C)cc3C(C)(C)C)cc(C)c1OP1Oc2c(cc(C(C)(C)C)cc2C(C)(C)C)C(C)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O1 | Train |
EU_REACH:
(3S)-5-fluoro-3-methyl-1,3-dihydro-2-benzofuran-1-one | null | 1803573-19-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/18294/7/4/2/?documentUUID=bcb7b050-60c2-4f35-8aa2-d11e0f0d9682 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C[C@H]1C2=C(C=CC(=C2)F)C(=O)O1 | https://pubchem.ncbi.nlm.nih.gov/compound/134970125 | PubChem | C[C@@H]1OC(=O)c2ccc(F)cc21 | Train |
EU_REACH:
tert-butyl N-{5-bromo-3-[(4-methylbenzenesulfonyl)oxy]pyridin-2-yl}-N-[(tert-butoxy)carbonyl]carbamate | null | 1803573-21-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/16687/7/4/2/?documentUUID=3a4422f8-434c-4ae9-88e3-53fdc213f0ef | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N=CC(=C2)Br)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/134963154 | PubChem | Cc1ccc(S(=O)(=O)Oc2cc(Br)cnc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 | Train |
EU_REACH:
1,1,2,2,3,3,4,4,5-Nonafluoro-5-(trifluoromethyl)cyclopentane | null | 1805-22-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24156/7/4/2/?documentUUID=010631c8-2779-4d50-a205-1c985246337c | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/74546 | PubChem | FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F | Train |
AU_HCIS:
Phenol, 4-octyl- | null | 1806-26-4 | 1 | AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=5803 | null | null | AU_HCIS | 1 | CCCCCCCCC1=CC=C(C=C1)O | https://pubchem.ncbi.nlm.nih.gov/compound/15730 | PubChem | CCCCCCCCc1ccc(O)cc1 | Train |
EU_REACH:
5-[(E)-2-(benzenesulfonyl)ethenyl]-3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-1H-indole | null | 180637-89-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20535/7/4/2/?documentUUID=a3080f08-ecdb-4dc5-8f55-c2c590221cd0 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)/C=C/S(=O)(=O)C4=CC=CC=C4 | https://pubchem.ncbi.nlm.nih.gov/compound/15840036 | PubChem | CN1CCC[C@@H]1Cc1c[nH]c2ccc(/C=C/S(=O)(=O)c3ccccc3)cc12 | Train |
EU_REACH:
(chloromethyl)(methoxy)dimethylsilane | null | 18143-33-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1316/7/4/2/?documentUUID=249cb383-0192-4cfd-a259-c958aaa66050 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CO[Si](C)(C)CCl | https://pubchem.ncbi.nlm.nih.gov/compound/560623 | PubChem | CO[Si](C)(C)CCl | Train |
EU_REACH:
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethanesulfinyl)-1H-pyrazole-3-carbonitrile
JP_CHRIP:
5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-ethylsulfinyl-1H-pyrazole-3-carbonitrile [ethiprole] | JP_CHRIP:
Ethiprole | 181587-01-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5874/7/4/2/?documentUUID=c6528b1b-8fee-49fc-aff8-a816b05de647
JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/15-meti-0010e.html | EU_REACH:
Experimental study (OECD TG 404, GLP)
JP_CHRIP:
It is reported that in a skin irritation test using rabbits applied 500 mg this substance, it was not irritating due to no skin reaction observed during a 72-hour observation period (Pesticide abstract (2015); Pesticide evaluation report, Food Safety Commission of Japan (2014)). From the above, the substance was classified as "Not classified." | Provided | EU_REACH, JP_CHRIP | 2 | CCS(=O)c1c(N)n(nc1C#N)c1c(Cl)cc(cc1Cl)C(F)(F)F | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.979.586A | J-GLOBAL | CCS(=O)c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N | Train |
EU_REACH:
tert-butyl(chloro)dimethylsilane
NZ_CCID:
Silane, t-butylchlorodimethyl- | NZ_CCID:
tert-Butyldimethylchlorosilane, tert-butyldimethylsilyl chloride | 18162-48-6 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/28118/7/4/2/?documentUUID=143e28ba-806d-4c4a-bc42-d80292321842
NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/0E55EE36-D961-4EAA-A049-E58C4527B235 | EU_REACH:
Experimental study (OECD TG 404, GLP)
NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | Provided | EU_REACH, NZ_CCID | 2 | CC(C)(C)[Si](C)(C)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/28928 | PubChem | CC(C)(C)[Si](C)(C)Cl | Train |
EU_REACH:
4-{[diethoxy(methyl)silyl]methyl}morpholine | null | 18162-75-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20090/7/4/2/?documentUUID=22c5b67a-0a58-4d1a-94e4-15e557c12a8a | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCO[Si](C)(CN1CCOCC1)OCC | https://pubchem.ncbi.nlm.nih.gov/compound/23065785 | PubChem | CCO[Si](C)(CN1CCOCC1)OCC | Train |
EU_REACH:
9,9-bis(methoxymethyl)-9H-fluorene | null | 182121-12-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26973/7/4/2/?documentUUID=fc1be520-0fcb-464c-9e77-28eae3cddf08 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COCC1(C2=CC=CC=C2C3=CC=CC=C31)COC | https://pubchem.ncbi.nlm.nih.gov/compound/11054211 | PubChem | COCC1(COC)c2ccccc2-c2ccccc21 | Train |
NZ_CCID:
Bis(trimethylsilyl) sulphate | null | 18306-29-1 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/8D4A9ADF-9002-4B9E-8F37-5D75E4EF4D55 | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [CHEMWATCH]
Eye Irritation
R PHRASE: R 41 [CHEMWATCH] | null | NZ_CCID | 1 | C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/87573 | PubChem | C[Si](C)(C)OS(=O)(=O)O[Si](C)(C)C | Train |
EU_REACH:
5-bromo-1H-pyrrolo[2,3-b]pyridine | null | 183208-35-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/6677/7/4/2/?documentUUID=0aa0f16c-0959-4058-b1ce-9f149f5cba5f | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CNC2=NC=C(C=C21)Br | https://pubchem.ncbi.nlm.nih.gov/compound/10307932 | PubChem | Brc1cnc2[nH]ccc2c1 | Train |
EU_REACH:
(14S)-4-bromo-2-methoxy-7-methyl-17-oxa-7-azatetracyclo[12.2.1.0^{5,16}.0^{10,15}]heptadeca-1,3,5(16),10-tetraen-12-one hydrochloride | null | 183487-56-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/25323/7/4/2/?documentUUID=5b836527-99b9-44ae-b6d4-3af3fc62e5d9 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CN1CC[C@@]23C=CC(=O)C[C@@H]2OC4=C3C(=C(C=C4OC)Br)C1 | https://pubchem.ncbi.nlm.nih.gov/compound/11143024 | PubChem | COc1cc(Br)c2c3c1O[C@H]1CC(=O)C=C[C@@]31CCN(C)C2 | Train |
JP_CHRIP:
1-Methyl-N-[2-(4-methylpentan-2-yl)-3-thienyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide; Penthiopyrad | null | 183675-82-3 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/20-meti-0080e.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, occlusive, 4-hour application, 72-hour observation), no irritation changes were seen in any animal (erythema/eschar score: 0/0/0, edema score: 0/0/0) (Risk Assessment Report (Pesticides) (Food Safety Commission of Japan, 2019), ECHA RAC Opinion (2015), CLH Report (2015), A pesticide abstract and evaluation report (Food and Agricultural Materials Inspection Center, 2013)). | Provided | JP_CHRIP | 1 | CC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.036.571D | J-GLOBAL | CC(C)CC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F | Train |
NZ_CCID:
Dichlorobis(1,1-dimethylethyl)silane | NZ_CCID:
di-tert-butyldichlorosilane | 18395-90-9 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/BE5FB3CC-8FA1-4C5D-879D-B3725E8E8C8D | NZ_CCID:
Skin Irritation
R PHRASE: R 34 [Company Data]
Eye Irritation
R PHRASE: R 34 [Company Data] | null | NZ_CCID | 1 | CC(C)(C)[Si](C(C)(C)C)(Cl)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/87624 | PubChem | CC(C)(C)[Si](Cl)(Cl)C(C)(C)C | Train |
EU_REACH:
3-hydroxy-2-(hydroxymethyl)-2-methylpropanal | null | 18516-18-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19735/7/4/2/?documentUUID=fa614022-8234-44a8-9868-a3e403bf9b51 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(CO)(CO)C=O | https://pubchem.ncbi.nlm.nih.gov/compound/87688 | PubChem | CC(C=O)(CO)CO | Train |
EU_REACH:
2-[bis(cyanomethyl)amino]propanenitrile | null | 185257-07-2 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/2604/7/4/2/?documentUUID=ccdb1309-6fa3-4015-8a92-178c8d6564e7 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C#N)N(CC#N)CC#N | https://pubchem.ncbi.nlm.nih.gov/compound/12040391 | PubChem | CC(C#N)N(CC#N)CC#N | Train |
EU_REACH:
1,3-Bis(3-methacryloyloxypropyl)-1,1,3,3-tetramethyldisiloxane | null | 18547-93-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24123/7/4/2/?documentUUID=1183efc3-dff6-4de1-b208-0b34a25af5ee | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(=C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C | https://pubchem.ncbi.nlm.nih.gov/compound/87703 | PubChem | C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C | Train |
EU_REACH:
(3R,3aR,6S,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diyl bis(4-hydroxybenzoate) | null | 185756-31-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/21447/7/4/2/?documentUUID=16367ca7-0006-4c25-aecc-9625ec38bee8 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)OC(=O)C3=CC=C(C=C3)O)OC(=O)C4=CC=C(C=C4)O | https://pubchem.ncbi.nlm.nih.gov/compound/18664186 | PubChem | O=C(O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)c1ccc(O)cc1)c1ccc(O)cc1 | Train |
EU_REACH:
2-(trifluoromethyl)benzene-1-sulfonamide | null | 1869-24-5 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12574/7/4/2/?documentUUID=e3c2e575-15e8-477e-ba38-fd3f97599ae9 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)N | https://pubchem.ncbi.nlm.nih.gov/compound/2778018 | PubChem | NS(=O)(=O)c1ccccc1C(F)(F)F | Train |
EU_REACH:
1,1,1,3,5,5,5-heptamethyltrisiloxane | null | 1873-88-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15810/7/4/2/?documentUUID=cb577c52-579c-4f34-bfd5-9c75fe36d75e | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C[Si](O[Si](C)(C)C)O[Si](C)(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/6327366 | PubChem | C[Si](O[Si](C)(C)C)O[Si](C)(C)C | Train |
EU_REACH:
5-[(2-ethylhexyl)oxy]-2-(4-{4-[(2-ethylhexyl)oxy]-2-hydroxyphenyl}-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl)phenol | null | 187393-00-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/12265/7/4/2/?documentUUID=cf8c8081-e7b9-4ef5-9fb1-63f49163a1d3 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCC(CC)COC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)OC)C4=C(C=C(C=C4)OCC(CC)CCCC)O)O | https://pubchem.ncbi.nlm.nih.gov/compound/135487856 | PubChem | CCCCC(CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OCC(CC)CCCC)cc3O)n2)c(O)c1 | Train |
EU_REACH:
trimethyl(octadecyloxy)silane | null | 18748-98-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/23563/7/4/2/?documentUUID=78329cad-8534-42c7-ad10-e2bfa4427a35 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCCCCCCCCCCCCCCCO[Si](C)(C)C | https://pubchem.ncbi.nlm.nih.gov/compound/87778 | PubChem | CCCCCCCCCCCCCCCCCCO[Si](C)(C)C | Train |
EU_REACH:
dimethyl propylphosphonate | null | 18755-43-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13875/7/4/2/?documentUUID=e1c6f3d3-b2a6-42fe-9e27-3e411622debc | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCP(=O)(OC)OC | https://pubchem.ncbi.nlm.nih.gov/compound/87779 | PubChem | CCCP(=O)(OC)OC | Train |
EU_REACH:
2-methyl-4-[4-({[4-(prop-2-enoyloxy)butoxy]carbonyl}oxy)benzoyloxy]phenyl 4-({[4-(prop-2-enoyloxy)butoxy]carbonyl}oxy)benzoate | null | 187585-64-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/23898/7/4/2/?documentUUID=51944794-9b43-4fe2-94d5-4e497497d017 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OC(=O)OCCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OC(=O)OCCCCOC(=O)C=C | https://pubchem.ncbi.nlm.nih.gov/compound/21351348 | PubChem | C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OCCCCOC(=O)C=C)cc3)c(C)c2)cc1 | Train |
EU_REACH:
trans,trans-2,3',4',5'-Tetrafluor-4-(4'-propylbicyclohexyl-4 -yl)-biphenyl | null | 188289-44-3 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/23357/7/4/2/?documentUUID=08eb0082-8954-42d1-bd86-499c14454979 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)F)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/15389837 | PubChem | CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)CC2)CC1 | Train |
EU_REACH:
1-acetylazepan-2-one | null | 1888-91-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/25718/7/4/2/?documentUUID=8726885f-a2aa-440e-8593-dbf8b2526923 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(=O)N1CCCCCC1=O | https://pubchem.ncbi.nlm.nih.gov/compound/15904 | PubChem | CC(=O)N1CCCCCC1=O | Train |
EU_REACH:
(2,3-dimethyl-3-phenylbutan-2-yl)benzene | null | 1889-67-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/13835/7/4/2/?documentUUID=4e9615b9-7ea0-464f-b3ab-fadfacb307c5 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)(C1=CC=CC=C1)C(C)(C)C2=CC=CC=C2 | https://pubchem.ncbi.nlm.nih.gov/compound/74681 | PubChem | CC(C)(c1ccccc1)C(C)(C)c1ccccc1 | Train |
EU_REACH:
N-(2-(dimethylamino)ethoxy)ethyl)-N-methyl-1,3-propanediamine | null | 189253-72-3 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/5264/7/4/2/?documentUUID=255b8037-a3c5-471e-baa4-9d6116a6a019 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CN(C)CCOCCN(C)CCCN | https://pubchem.ncbi.nlm.nih.gov/compound/18945537 | PubChem | CN(C)CCOCCN(C)CCCN | Train |
EU_REACH:
4-ethoxy-2,3-difluoro-4'-(trans-4-propylcyclohexyl)-1,1'-biphenyl | null | 189750-98-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/24125/7/4/2/?documentUUID=714e318a-1eb0-4ea3-bf77-20d21dbc1c8d | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCC)F)F | https://pubchem.ncbi.nlm.nih.gov/compound/18681376 | PubChem | CCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1 | Train |
EU_REACH:
methyl (2E)-2-[2-(chloromethyl)phenyl]-2-(methoxyimino)acetate | null | 189813-45-4 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/4529/7/4/2/?documentUUID=5819b56c-0567-46dd-8617-5d99228dfd26 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | COC(=O)/C(=N/OC)/C1=CC=CC=C1CCl | https://pubchem.ncbi.nlm.nih.gov/compound/11806789 | PubChem | CO/N=C(/C(=O)OC)c1ccccc1CCl | Train |
NZ_CCID:
Propachlor | NZ_CCID:
Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-, Acetanilide, 2-chloro-N-isopropyl-, 2-Chloro-N-(1-methylethyl)-N-phenylacetamide | 1918-16-7 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/DE3C27B9-F767-4F39-BE02-F7B221FDAE44 | NZ_CCID:
Skin Irritation
SPECIES: Rabbit
RESULT: For technical propachlor (94.5% pure) a slight degree of dermal irritation was observed (2.5/8.0 score) (Braun et al., 1979a); for a 20% formulation of propachlor (again 94.5% pure) there was a slight degree of dermal irritation (1.8/8.0 score) (Braun et al., 1979b); for a 65% formulation a moderate degree of dermal irritation (3.4/8.0 score) (Braun et al., 1979c); and for a 42% formulation corrosive effects were observed (Branch et al., 1982b).
REFERENCE SOURCE: [INCHEM EHC 147]
Eye Irritation
SPECIES: Rabbit
RESULT: Severe irritant.
REFERENCE SOURCE: [REDS] | null | NZ_CCID | 1 | CC(C)N(C1=CC=CC=C1)C(=O)CCl | https://pubchem.ncbi.nlm.nih.gov/compound/4931 | PubChem | CC(C)N(C(=O)CCl)c1ccccc1 | Train |
EU_REACH:
diethyl N-[3-(trimethoxysilyl)propyl]aspartate | null | 192389-48-3 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/15828/7/4/2/?documentUUID=2861967d-94ab-4b61-ae49-910f0e371add | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCOC(=O)C[C@@H](C(=O)OCC)NCCC[Si](OC)(OC)OC | https://pubchem.ncbi.nlm.nih.gov/compound/15390519 | PubChem | CCOC(=O)C[C@H](NCCC[Si](OC)(OC)OC)C(=O)OCC | Train |
JP_CHRIP:
2-Chloro-6-trichloromethylpyridine; Nitrapyrin | JP_CHRIP:
2-Chloro-6-trichloromethylpyridine
alpha,alpha,alpha,6-Tetrachloro-2-picoline
Nitrapyrin | 1929-82-4 | 0 | JP_CHRIP: https://www.nite.go.jp/chem/english/ghs/19-mhlw-2052e.html | JP_CHRIP:
[Rationale for the Classification]
Based on (1), it was classified as "Not classified." The category was changed due to new data obtained.
[Evidence Data]
(1) In a skin irritation test with rabbits according to OECD TG 404 and EPA OPPTS 870.2500, mean scores at 24/48/72 hours were all less than 2.3 (REACH registration dossier (Access on September 2019), EPA Pesticide (2005), Risk Assessment Report (Pesticides) (Food Safety Commission of Japan, 2007)). | Provided | JP_CHRIP | 1 | Clc1cccc(n1)C(Cl)(Cl)Cl | https://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.789B | J-GLOBAL | Clc1cccc(C(Cl)(Cl)Cl)n1 | Train |
EU_REACH:
(2Z)-4-(tert-butylperoxy)-4-oxobut-2-enoic acid | null | 1931-62-0 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/26777/7/4/2/?documentUUID=64144a65-a429-49e8-91d6-6110dc0665a2 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)(C)OOC(=O)/C=C\C(=O)O | https://pubchem.ncbi.nlm.nih.gov/compound/5702664 | PubChem | CC(C)(C)OOC(=O)/C=C\C(=O)O | Train |
EU_REACH:
3-[(2-hydroxyethyl)amino]propan-1-ol | null | 19344-29-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17126/7/4/2/?documentUUID=47e520e7-623b-4a24-aa7f-482e679fdfdc | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C(CNCCO)CO | https://pubchem.ncbi.nlm.nih.gov/compound/3015059 | PubChem | OCCCNCCO | Train |
EU_REACH:
2,2-dimethylthiazolidine | null | 19351-18-9 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/22952/7/4/2/?documentUUID=6aec38e4-a043-4145-928a-25d4f25d3f56 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1(NCCS1)C | https://pubchem.ncbi.nlm.nih.gov/compound/88015 | PubChem | CC1(C)NCCS1 | Train |
NZ_CCID:
Phenylmethanesulphonyl chloride | null | 1939-99-7 | 1 | NZ_CCID: https://www.epa.govt.nz/database-search/chemical-classification-and-information-database-ccid/view/E87D9517-685E-44FF-9405-4F58B89DDB8B | 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)CS(=O)(=O)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/74740 | PubChem | O=S(=O)(Cl)Cc1ccccc1 | Train |
EU_REACH:
3-amino-p-toluamide | null | 19406-86-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10821/7/4/2/?documentUUID=5c4aec55-a73b-4378-84cd-332a37c3b4a8 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(C=C(C=C1)C(=O)N)N | https://pubchem.ncbi.nlm.nih.gov/compound/88043 | PubChem | Cc1ccc(C(N)=O)cc1N | Train |
EU_REACH:
3-amino-4-chlorobenzamide | null | 19694-10-1 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/10384/7/4/2/?documentUUID=ef08f183-ace8-4471-bf89-91fb8e6c0691 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC(=C(C=C1C(=O)N)N)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/88200 | PubChem | NC(=O)c1ccc(Cl)c(N)c1 | Train |
EU_REACH:
[(1R,2R)-1-methyl-2-{[(1S,3R,5R)-1,2,2-trimethylbicyclo[3.1.0]hexan-3-yl]methyl}cyclopropyl]methanol; [(1S,2S)-1-methyl-2-{[(1S,3R,5R)-1,2,2-trimethylbicyclo[3.1.0]hexan-3-yl]methyl}cyclopropyl]methanol | null | 198404-98-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/29448/7/4/2/?documentUUID=d7ab512a-bdeb-41ce-bb82-bc2ec4b1f1fd | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1(C(CC2C1(C2)C)CC3CC3(C)CO)C | https://pubchem.ncbi.nlm.nih.gov/compound/22096564 | PubChem | CC1(CO)CC1CC1CC2CC2(C)C1(C)C | Train |
EU_REACH:
3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1H-indole | null | 198479-63-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17867/7/4/2/?documentUUID=49c5c68c-87aa-4124-ad4b-eee46ab7e768 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(NC2=C1C=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5 | https://pubchem.ncbi.nlm.nih.gov/compound/3824745 | PubChem | Cc1c(-c2ccc(OCc3ccccc3)cc2)[nH]c2ccc(OCc3ccccc3)cc12 | Train |
EU_REACH:
1-[4-(2-Azepan-1-yl-ethoxy)-benzyl]-5-(benzyloxy)-2(benzyloxyphenyl)-3-methyl-1H-indole | null | 198480-21-6 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/17891/7/4/2/?documentUUID=78e5c0a5-62eb-4afc-a420-096f882df50e | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC1=C(N(C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC4=CC=C(C=C4)OCCN5CCCCCC5)C6=CC=C(C=C6)OCC7=CC=CC=C7 | https://pubchem.ncbi.nlm.nih.gov/compound/9895831 | PubChem | Cc1c(-c2ccc(OCc3ccccc3)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(OCc3ccccc3)cc12 | Train |
EU_REACH:
tert-butyl 2-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-2-[4-(pyridin-2-yl)benzyl]hydrazinecarboxylate | null | 198904-86-8 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20798/7/4/2/?documentUUID=79198bff-80b3-492e-9c3a-5fca6013fcdf | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)OC(C)(C)C)O | https://pubchem.ncbi.nlm.nih.gov/compound/12084688 | PubChem | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)OC(C)(C)C | Train |
EU_REACH:
7-ethoxy-2,2,7-trimethyl-3-(trimethylsilyl)-8-oxa-3-aza-2,7-disiladecane | null | 201290-01-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/20966/7/4/2/?documentUUID=7fb4b700-d447-4d47-9146-29caa7c11c75 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCO[Si](C)(CCCN([Si](C)(C)C)[Si](C)(C)C)OCC | https://pubchem.ncbi.nlm.nih.gov/compound/87060207 | PubChem | CCO[Si](C)(CCCN([Si](C)(C)C)[Si](C)(C)C)OCC | Train |
EU_REACH:
2,4,8,10-tetraoxa-3λ⁶,9λ⁶-dithiaspiro[5.5]undecane-3,3,9,9-tetrone | null | 201419-80-9 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/32238/7/4/2/?documentUUID=ea4db8dd-d0b1-4a81-adda-4f4d04ce450b | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1C2(COS(=O)(=O)O1)COS(=O)(=O)OC2 | https://pubchem.ncbi.nlm.nih.gov/compound/11311505 | PubChem | O=S1(=O)OCC2(CO1)COS(=O)(=O)OC2 | Train |
EU_REACH:
2,6-dichlorobenzyl chloride | null | 2014-83-7 | 1 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/23571/7/4/2/?documentUUID=953a3de9-4417-45b2-830f-123688766ecb | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=CC(=C(C(=C1)Cl)CCl)Cl | https://pubchem.ncbi.nlm.nih.gov/compound/74832 | PubChem | ClCc1c(Cl)cccc1Cl | Train |
AU_HCIS:
1-Tetradecanamine | null | 2016-42-4 | 1 | AU_HCIS: http://hcis.safeworkaustralia.gov.au/HazardousChemical/Details?chemicalID=4988 | null | null | AU_HCIS | 1 | CCCCCCCCCCCCCCN | https://pubchem.ncbi.nlm.nih.gov/compound/16217 | PubChem | CCCCCCCCCCCCCCN | Train |
EU_REACH:
flucytosine | null | 2022-85-7 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/19073/7/4/2/?documentUUID=f7eb1430-03fa-40aa-80a4-80cef4b73a12 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | C1=NC(=O)NC(=C1F)N | https://pubchem.ncbi.nlm.nih.gov/compound/3366 | PubChem | Nc1[nH]c(=O)ncc1F | Train |
EU_REACH:
2-[(2-hexyldecyl)oxy]benzamide | null | 202483-62-3 | 0 | EU_REACH: https://echa.europa.eu/registration-dossier/-/registered-dossier/1243/7/4/2/?documentUUID=ede46184-ffc3-4a0e-b2ea-b1ad436c78d1 | EU_REACH:
Experimental study (OECD TG 404, GLP) | Provided | EU_REACH | 1 | CCCCCCCCC(CCCCCC)COC1=CC=CC=C1C(=O)N | https://pubchem.ncbi.nlm.nih.gov/compound/18740353 | PubChem | CCCCCCCCC(CCCCCC)COc1ccccc1C(N)=O | Train |