cyclohexyl methyl ketone
hexahydroacetophenone
Identification
| Name | cyclohexyl methyl ketone |
| IUPAC | 1-cyclohexylethanone |
| CAS Number | 823-76-7 |
| EINECS | 212-517-0 |
| FDA UNII | U53404H6B8 |
| Molecular Formula | C8 H14 O |
| Molecular Weight | 126.19878000 |
| MDL Number | MFCD00040418 |
| Nikkaji Number | J79.973D |
| Beilstein | 507229 |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 180.50 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.849000 mmHg @ 25.00 °C. (est) |
| Flash Point | 143.00 °F. TCC ( 61.40 °C. ) (est) |
| logP (o/w) | 1.930 (est) |
| Soluble in | water, 1741 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 | information only not used for fragrances or flavors |
| Recommendation for cyclohexyl methyl ketone usage levels up to | not for fragrance use. |
| Recommendation for cyclohexyl methyl ketone flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
acetophenone, hexahydro-
acetyl cyclohexane
1-
acetyl cyclohexane
1-
acetylcyclohexane
cyclohexane methyl ketone
1-
cyclohexyl ethan-1-one
1-
cyclohexylethan-1-one
1-
cyclohexylethanone
cyclohexylmethyl ketone
ethan-1-one, 1-cyclohexyl-
ethanone, 1-cyclohexyl-
hexahydroacetophenone
ketone, cyclohexyl methyl
methyl cyclohexyl ketone
PubMed:
The role of acid catalysis in the Baeyer-Villiger reaction. A theoretical study.
PubMed:
Cloning, expression and characterization of a eukaryotic cycloalkanone monooxygenase from Cylindrocarpon radicicola ATCC 11011.
PubMed:
Computational study of the factors controlling enantioselectivity in ruthenium(II) hydrogenation catalysts.