3-tert-butyl cyclohexanone
3-(2-methyl-2-propanyl)cyclohexanone
Identification
| Name | 3-tert-butyl cyclohexanone |
| CAS Number | 936-99-2 |
| FDA UNII | Search |
| Molecular Formula | C10 H18 O |
| Molecular Weight | 154.25266000 |
| MDL Number | MFCD00962367 |
| Nikkaji Number | J494.922F |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 213.30 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 0.165000 mmHg @ 25.00 °C. (est) |
| Flash Point | 168.00 °F. TCC ( 75.70 °C. ) (est) |
| logP (o/w) | 2.630 (est) |
| Soluble in | water, 239.8 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 3-tert-butyl cyclohexanone flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
3-tert-
butylcyclohexan-1-one
3-tert-
butylcyclohexanone
3-(1,1-
dimethyl ethyl) cyclohexanone
3-(2-
methyl-2-propanyl)cyclohexanone
PubMed:
The metabolism of the isomeric tert.-butylcyclohexanones.