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)

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

• Language:English Provider:4-Methylcyclohexanone
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

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.]

4-Methylcyclohexanone(589-92-4)Related Product Information

• 1-Hydroperoxycyclohexyl-1-hydroxycyclohexyl peroxide
• 4-Phenylcyclohexanone
• Cyclohexanone
• 2-Methylcyclohexanone
• METHYLCYCLOHEXANONE
• 4-tert-Butylcyclohexanone
• Adrenosterone
• HECOGENIN ACETATE
• 2,6-BIS(4-AZIDOBENZYLIDENE)-4-METHYLCYCLOHEXANONE
• CORTISONE
• Prednisone
• 4-TERT-PENTYLCYCLOHEXANONE
• Ethyl 4-oxocyclohexanecarboxylate
• Cortisone acetate
• Androstanolone 17-benzoate
• FRIEDELIN
• 5ALPHA-ANDROST-16-EN-3-ONE
• 4-Ethylcyclohexanone