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Substance Name: 4-tert-Butylcyclohexanone
RN: 98-53-3
UNII: 4M45G11K23
InChIKey: YKFKEYKJGVSEIX-UHFFFAOYSA-N
Molecular Formula
- C10-H18-O
Molecular Weight
- 154.251
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Names and Synonyms
Name of Substance
- 4-tert-Butylcyclohexanone
Synonyms
- 4-07-00-00082 (Beilstein Handbook Reference)
- 4-tert-Butylcyclohexanone
- AI3-04092
- BRN 0507309
- C 64
- Cyclohexanone, 4-(1,1-dimethylethyl)-
- Cyclohexanone, p-tert-butyl-
- EC 202-678-5
- EINECS 202-678-5
- NSC 73717
- p-tert-Butylcyclohexanone
- UNII-4M45G11K23
Systematic Names
- 4-tert-Butylcyclohexanone
- Cyclohexanone, 4-(1,1-dimethylethyl)-
- Cyclohexanone, 4-tert-butyl- (8CI)
- Cyclohexanone, p-tert-butyl-
Registry Numbers
CAS Registry Number
- 98-53-3
FDA UNII
- 4M45G11K23
System Generated Number
- 0000098533
Structure Descriptors
InChI
InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3InChIKey
YKFKEYKJGVSEIX-UHFFFAOYSA-NSmiles
CC(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 729, 1975. | |
| rat | LD50 | oral | 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 13, Pg. 729, 1975. |