4-Methylcyclohexanone
Synonym(s):4-Methylcyclohexanone;Tetrahydro-p-cresol;Tetrahydro-p-cresol
- CAS NO.：589-92-4
- Empirical Formula: C7H12O
- Molecular Weight: 112.17
- MDL number: MFCD00001643
- EINECS: 209-665-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:08:57
What is 4-Methylcyclohexanone?
Chemical properties
CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID
Chemical properties
4-Methylcyclohexanone has an acetone-like odor.
The Uses of 4-Methylcyclohexanone
4-Methylcyclohexanone was used in the synthesis of the pinguisane-type sesquiterpenoid acutifolone A, in racemic form. It is used as intermediates of CCNU and it can be also be used as a solvent.
The Uses of 4-Methylcyclohexanone
Intermediates of Liquid Crystals
Preparation
By oxidation of a mixture of cis- and trans-4-methylcyclohexanol.
Synthesis Reference(s)
The Journal of Organic Chemistry, 38, p. 2011, 1973 DOI: 10.1021/jo00951a009
Tetrahedron Letters, 25, p. 173, 1984 DOI: 10.1016/S0040-4039(00)99832-0
General Description
4-Methylcyclohexanone is a cyclic flavor ketone that is reported to be present in volatile oil of roasted sesame seeds.
Flammability and Explosibility
Flammable
Purification Methods
Dry the ketone with CaSO4, then fractionally distil it. The semicarbazone has m 197o , 203.5o(dec) (from MeOH or EtOH). [White & Bishop J Am Chem Soc 62 8 1945, Vogel & Oommen J Chem Soc 774 1930, Beilstein 7 III 63, 7 IV 44.]
Properties of 4-Methylcyclohexanone
| Melting point: | -41 °C |
| Boiling point: | 169-171 °C (lit.) |
| Density | 0.914 g/mL at 25 °C (lit.) |
| vapor pressure | 20 hPa (65 °C) |
| FEMA | 3948 | 4-METHYLCYCLOHEXANONE |
| refractive index | n |
| Flash point: | 105 °F |
| storage temp. | Store below +30°C. |
| form | Liquid |
| color | Clear colorless to slightly yellow |
| Odor | at 10.00 % in propylene glycol. musty animal |
| Water Solubility | Not miscible in water. |
| JECFA Number | 1104 |
| BRN | 506746 |
| Dielectric constant | 12.4 |
| CAS DataBase Reference | 589-92-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Cyclohexanone, 4-methyl-(589-92-4) |
| EPA Substance Registry System | Cyclohexanone, 4-methyl- (589-92-4) |
Safety information for 4-Methylcyclohexanone
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
Computed Descriptors for 4-Methylcyclohexanone
| InChIKey | VGVHNLRUAMRIEW-UHFFFAOYSA-N |
4-Methylcyclohexanone manufacturer
Deepak Novochem Technologies Ltd
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