2-acetyl cyclohexanone
alpha-acetylcyclohexanone
Identification
| Name | 2-acetyl cyclohexanone |
| IUPAC | 2-acetylcyclohexan-1-one |
| CAS Number | 874-23-7 |
| EINECS | 212-858-5 |
| FDA UNII | Search |
| Molecular Formula | C8 H12 O2 |
| Molecular Weight | 140.18204000 |
| MDL Number | MFCD00001633 |
| Nikkaji Number | J79.994G |
| Beilstein | 1858621 |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.06400 to 1.06800 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.864 to 8.897 |
| Refractive Index | 1.50900 to 1.51100 @ 20.00 °C. |
| Flash Point | 175.00 °F. TCC ( 79.44 °C. ) |
| Soluble in | water, 5999 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| 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 2-acetyl cyclohexanone usage levels up to | not for fragrance use. |
| Recommendation for 2-acetyl cyclohexanone flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
alpha-
acetyl cyclohexanone
2-
acetylcyclohexan-1-one
2-
acetylcyclohexanone
alpha-
acetylcyclohexanone
cyclohexanone, 2-acetyl-
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Efficient MW-Assisted Synthesis, Spectroscopic Characterization, X-ray and Antioxidant Properties of Indazole Derivatives.
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Peptide reactivity associated with skin sensitization: The QSAR Toolbox and TIMES compared to the DPRA.
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Copper-catalyzed amination of (bromophenyl)ethanolamine for a concise synthesis of aniline-containing analogues of NMDA NR2B antagonist ifenprodil.
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Nitrosation of 2-acetylcyclohexanone. 2. Reaction in water in the absence and presence of cyclodextrins.
PubMed:
Tautomerization of 2-acetylcyclohexanone. 1. Characterization of keto-enol/enolate equilibria and reaction rates in water.