| Identification | More | [Name]
4-Methylcyclohexanone | [CAS]
589-92-4 | [Synonyms]
4-METHYLCYCLOHEXANONE
FEMA 3948
P-METHYLCYCLOHEXANONE
TETRAHYDRO-P-CRESOL
4-Methyl-1-cyclohexanone
4-methyl-cyclohexanon
Methyl-4 cyclohexanone-1
methyl-4cyclohexanone-1
4-METHYLCYCLOHEXANONE 99+%
4-Methylcyclohexanone98%
Cyclohexanone, 4-methyl- | [EINECS(EC#)]
209-665-3 | [Molecular Formula]
C7H12O | [MDL Number]
MFCD00001643 | [Molecular Weight]
112.17 | [MOL File]
589-92-4.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID | [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 | [refractive index ]
n20/D 1.4443(lit.)
| [Fp ]
105 °F
| [storage temp. ]
Flammables area | [form ]
Liquid | [color ]
Clear colorless to slightly yellow | [Odor]
at 10.00 % in propylene glycol. musty animal | [biological source]
synthetic | [Odor Type]
animal | [Water Solubility ]
Not miscible in water. | [Usage]
Intermediates of Liquid Crystals | [JECFA Number]
1104 | [BRN ]
506746 | [Dielectric constant]
12.4 | [InChIKey]
VGVHNLRUAMRIEW-UHFFFAOYSA-N | [LogP]
1.33 at 20℃ | [CAS DataBase Reference]
589-92-4(CAS DataBase Reference) | [NIST Chemistry Reference]
Cyclohexanone, 4-methyl-(589-92-4) | [EPA Substance Registry System]
589-92-4(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R10:Flammable.
R22:Harmful if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . | [RIDADR ]
UN 2297 3/PG 3
| [WGK Germany ]
1
| [RTECS ]
GW1750200
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29142200 | [Toxicity]
LD50 orally in Rabbit: 800 mg/kg |
| Raw materials And Preparation Products | Back Directory | [Preparation Products]
2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE-->2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER-->2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE-->4-Methylcyclohexanone dimethyl acetal-->4-METHYLCYCLOHEXANEACETIC ACID-->Di-p-tolylamine-->TRANS-2-METHYLCYCLOHEXANOL-->TRANS-4-METHYLCYCLOHEXANOL-->Phentolamine-->1-Methylcyclohexanol-->Cyclohexanol, 1-ethynyl-4-methyl--->1H-Carbazole, 6-chloro-2,3,4,9-tetrahydro-3-methyl--->2-ethyl-4-methylcyclohexanone-->1-(dichloromethylidene)-4-methylcyclohexane |
| Hazard Information | Back Directory | [Chemical Properties]
4-Methylcyclohexanone has an acetone-like odor. | [Chemical Properties]
CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID | [Uses]
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. | [Uses]
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.] |
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