4-Methylcyclohexanone

CAS No.：589-92-4

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4-Methylcyclohexanone Basic information

Description

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

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.)
Fp	105 °F
storage temp.	Store below +30°C.
form	Liquid
color	Clear colorless to slightly yellow
Water Solubility	Not miscible in water.
JECFA Number	1104
BRN	506746
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 Information

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

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/jo00951a009Tetrahedron 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 Preparation Products And Raw materials

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

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