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3289-28-9

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3289-28-9 Structure

3289-28-9 Structure
IdentificationMore
[Name]

Cyclohexanecarboxylic acid ethyl ester
[CAS]

3289-28-9
[Synonyms]

CARBETHOXYCYCLOHEXANE
cyclohexanecarboxylic acid ethyl ester
ETHYL CYCLOHEXANECARBOXYLATE
ETHYLCYCLOHEXYLMETHANOATE
FEMA 3544
RARECHEM AL BI 0002
ethoxycarbonylcyclohexane
ethylcyclohexylcarboxylate
ethylcyclohexanoate,ethylcyclohexanecarboxylate
Ethyl cyclohexanecarboxylate, 98+%
Cyclohexane-1-carboxylic acid ethyl
Cyclohexanecarboxylic acid ethyl
[EINECS(EC#)]

221-945-7
[Molecular Formula]

C9H16O2
[MDL Number]

MFCD00041734
[Molecular Weight]

156.22
[MOL File]

3289-28-9.mol
Chemical PropertiesBack Directory
[Melting point ]

120 °C
[Boiling point ]

194-196°C
[density ]

0,936 g/cm3
[FEMA ]

3544
[refractive index ]

1.4420
[Fp ]

194-196°C
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

Colorless to light yellow Liquid
[Odor]

at 100.00 %. fruity cheese winey
[Odor Type]

cheesy
[Water Solubility ]

Insoluble in water.
[JECFA Number]

963
[BRN ]

2042698
[LogP]

2.77
[CAS DataBase Reference]

3289-28-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethyl cyclohexanecarboxylate(3289-28-9)
[EPA Substance Registry System]

3289-28-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RTECS ]

GU8490000
[TSCA ]

Yes
[HS Code ]

2916200090
Hazard InformationBack Directory
[Chemical Properties]

Ethyl cyclohexanecarboxylate has a cheese-like odor
[Occurrence]

Reported found in rum.
[Uses]

Ethyl cyclohexanecarboxylate is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
[Definition]

ChEBI: Ethyl cyclohexanecarboxylate is an ethyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with ethanol. It has a role as a flavouring agent, a plant metabolite and a human metabolite. It is an ethyl ester and a volatile organic compound. It is functionally related to a cyclohexanecarboxylic acid.
[Aroma threshold values]

Detection: 0.001 ppb
[Synthesis Reference(s)]

Journal of the American Chemical Society, 96, p. 3686, 1974 DOI: 10.1021/ja00818a072
[Purification Methods]

Ethyl cyclohexanecarboxylate [3289-28-9] M 156.2, b 76 -77o/10mm, 92 -93o/34mm, 196 -1 9 6 . 2o/760mm, d 4 0.955, n D 1.441. Wash the ester with N sodium hydroxide solution, then water, dry with Na2SO4 and distil it. The amide has m 185-186o. [Adkins & Cramer J Am Chem Soc 52 4355 1930, Newman & Walborsky J Am Chem Soc 72 4296 1950, Beilstein 9 III 17, 9 IV 18.]
Spectrum DetailBack Directory
[Spectrum Detail]

Cyclohexanecarboxylic acid ethyl ester(3289-28-9)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Ethyl cyclohexanecarboxylate, 98+%(3289-28-9)
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