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4-Methylcyclohexanone

Basic information Description Safety Supplier Related

4-Methylcyclohexanone Basic information

Product Name:
4-Methylcyclohexanone
Synonyms:
  • TETRAHYDRO-P-CRESOL
  • P-METHYLCYCLOHEXANONE
  • 4-Methyl-1-cyclohexanone
  • 4-methyl-cyclohexanon
  • Methyl-4 cyclohexanone-1
  • methyl-4cyclohexanone-1
  • 4-METHYLCYCLOHEXANONE
  • FEMA 3948
CAS:
589-92-4
MF:
C7H12O
MW:
112.17
EINECS:
209-665-3
Product Categories:
  • Pyridines
Mol File:
589-92-4.mol
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4-Methylcyclohexanone Chemical Properties

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 
n20/D 1.4443(lit.)
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
Odor Type
animal
Water Solubility 
Not miscible in water.
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
Cyclohexanone, 4-methyl- (589-92-4)
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Safety Information

Hazard Codes 
Xn,Xi
Risk Statements 
10-22-20/21/22-2017/10/22
Safety Statements 
16-36-36/37-23
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

MSDS

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4-Methylcyclohexanone Usage And Synthesis

Description

4-methylcyclohexanone is a colorless liquid with a musty animalistic odor. It is used as a food additive.

Chemical Properties

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

Chemical Properties

4-Methylcyclohexanone has an acetone-like odor.

Uses

Intermediates of Liquid Crystals

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.

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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