ChemicalBook Product Catalog Chemical Reagents Organic reagents aliphatic ketones 4-Methylcyclohexanone

4-Methylcyclohexanone

Product Name4-Methylcyclohexanone
CAS589-92-4
MFC7H12O
MW112.17
EINECS209-665-3
MOL File589-92-4.mol

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)
refractive index	n20/D 1.4443(lit.)
FEMA	3948 \| 4-METHYLCYCLOHEXANONE
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
biological source	synthetic
Water Solubility	Not miscible in water.
JECFA Number	1104
BRN	506746
Dielectric constant	12.4
Major Application	flavors and fragrances
InChI	1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChIKey	VGVHNLRUAMRIEW-UHFFFAOYSA-N
SMILES	CC1CCC(=O)CC1
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	TSCA listed
HazardClass	3
PackingGroup	III
HS Code	29142200
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 4 Oral Flam. Liq. 3
Toxicity	LD50 orally in Rabbit: 800 mg/kg

MSDS

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

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

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.]

4-Methylcyclohexanone

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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