Methyl cyclohexanecarboxylate

Methyl cyclohexanecarboxylate Basic information
Product Name:Methyl cyclohexanecarboxylate
Synonyms:ohexanecarboxyL;TIMTEC-BB SBB008423;RARECHEM AL BF 0002;METHYL CYCLOHEXANCARBOXYLATE;METHYL CYCLOHEXANECARBOXYLATE;Cyclohexanecarboxylicacid,methylester(6CI,7CI,8CI,9CI);Hexahydrobenzoic acid methyl ester;hexahydrobenzoicacidmethylester
CAS:4630-82-4
MF:C8H14O2
MW:142.2
EINECS:225-050-2
Product Categories:Agrochemical Intermediates;Alphabetical Listings;C8 to C9;Carbonyl Compounds;Flavors and Fragrances;M-N;Esters
Mol File:4630-82-4.mol
Methyl cyclohexanecarboxylate Structure
Methyl cyclohexanecarboxylate Chemical Properties
Boiling point 183 °C(lit.)
density 0.995 g/mL at 25 °C(lit.)
FEMA 3568 | METHYL CYCLOHEXANECARBOXYLATE
refractive index n20/D 1.443(lit.)
Fp 140 °F
storage temp. Sealed in dry,Room Temperature
solubility Dichloromethane
form Liquid
Specific Gravity0.98
color Clear colorless to light yellow
Odorat 10.00 % in dipropylene glycol. fruity berry estery pineapple milk
Odor Typefruity
Water Solubility ALMOST INSOLUBLE
JECFA Number962
LogP2.24
CAS DataBase Reference4630-82-4(CAS DataBase Reference)
NIST Chemistry Referencec-C6H11COOCH3(4630-82-4)
EPA Substance Registry SystemMethyl cyclohexanecarboxylate (4630-82-4)
Safety Information
Risk Statements 36/37/38
Safety Statements 24/25
RIDADR UN 3272 3/PG 3
WGK Germany 2
RTECS GU8599000
HazardClass 3.2
PackingGroup III
HS Code 29162090
MSDS Information
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Methyl cyclohexanecarboxylate English
ACROS English
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Methyl cyclohexanecarboxylate Usage And Synthesis
DescriptionMethyl cyclohexanecarboxylate has a cheese-like odor.
DescriptionMethyl cyclohexanecarboxylate is an aliphatic ester that has been used in a variety of chemical synthesis studies, including the preparation of primary amides and reduction of esters to alcohols.
Chemical PropertiesMethyl cyclohexanecarboxylate has a cheese-like odor
Chemical PropertiesCLEAR COLORLESS TO LIGHT YELLOW LIQUID
OccurrenceReported found in Bourbon vanilla.
UsesMethyl cyclohexanecarboxylate may be used in chemical synthesis studies.
UsesOdorant found in virgin olive oil and green olives.
PreparationPrepared in 65% overall yield from a two-step procedure starting with readily available chlorocyclohexane.
DefinitionChEBI: Methyl cyclohexanecarboxylate is a methyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with methanol. It has a role as a human metabolite and a flavouring agent. It is a methyl ester and a volatile organic compound. It is functionally related to a cyclohexanecarboxylic acid.
Taste threshold valuesTaste characteristics at 20 ppm: cooling, sweet, fruity and floral
Synthesis Reference(s)The Journal of Organic Chemistry, 49, p. 4014, 1984 DOI: 10.1021/jo00195a028
Tetrahedron Letters, 20, p. 3809, 1979 DOI: 10.1016/S0040-4039(01)95530-3
Synthetic Communications, 13, p. 985, 1983 DOI: 10.1080/00397918308082716
Methyl cyclohexanecarboxylate Preparation Products And Raw materials
Preparation Products1-METHYL-1-CYCLOHEXANECARBOXYLIC ACID-->1,3-Dicyclohexyl-1,3-propanedione-->1-CYCLOHEXYL-2,2,2-TRIFLUORO-ETHANONE
Methylparaben Methyl 2-bromobenzoate Cyclohexanecarboxylic acid Methyl anthranilate Methyl RESCINNAMINE Bensulfuron methyl Methyl cyclohexanecarboxylate Kresoxim-methyl Ethyl 2-oxocyclohexanecarboxylate Methyl chloroformate Cyclohexanecarbonitrile ETHYL 4-METHYL-2-CYCLOHEXANONE-1-CARBOXYLATE Methyl acrylate Methyl formate Methyl acetate Methyl bromide (Aminomethyl)cyclohexane

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