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HomeProduct name listCyclohexanecarboxylic acid ethyl ester

Cyclohexanecarboxylic acid ethyl ester

  • CAS NO.:3289-28-9
  • Empirical Formula: C9H16O2
  • Molecular Weight: 156.22
  • MDL number: MFCD00041734
  • EINECS: 221-945-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-21 22:41:43
Cyclohexanecarboxylic acid ethyl ester Structural

What is Cyclohexanecarboxylic acid ethyl ester?

Chemical properties

Ethyl cyclohexanecarboxylate has a cheese-like odor

Occurrence

Reported found in rum.

The Uses of Cyclohexanecarboxylic acid ethyl ester

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.]

Properties of Cyclohexanecarboxylic acid ethyl ester

Melting point: 120 °C
Boiling point: 194-196°C
Density  0,936 g/cm3
refractive index  1.4420
FEMA  3544 | ETHYL CYCLOHEXANECARBOXYLATE
Flash point: 194-196°C
storage temp.  Sealed in dry,Room Temperature
Odor at 100.00 %. fruity cheese winey
Water Solubility  Insoluble in water.
JECFA Number 963
BRN  2042698
CAS DataBase Reference 3289-28-9(CAS DataBase Reference)
NIST Chemistry Reference Ethyl cyclohexanecarboxylate(3289-28-9)
EPA Substance Registry System Cyclohexanecarboxylic acid, ethyl ester (3289-28-9)

Safety information for Cyclohexanecarboxylic acid ethyl ester

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

Computed Descriptors for Cyclohexanecarboxylic acid ethyl ester

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