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HomeProduct name listEthyl 4-oxocyclohexanecarboxylate

Ethyl 4-oxocyclohexanecarboxylate

Synonym(s):4-(Ethoxycarbonyl)cyclohexanone;Ethyl cyclohexanone-4-carboxylate

  • CAS NO.:17159-79-4
  • Empirical Formula: C9H14O3
  • Molecular Weight: 170.21
  • MDL number: MFCD00013285
  • EINECS: 628-731-6
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-06-06 16:20:44
Ethyl 4-oxocyclohexanecarboxylate Structural

What is Ethyl 4-oxocyclohexanecarboxylate?

Chemical properties

clear colorless to yellow liquid

The Uses of Ethyl 4-oxocyclohexanecarboxylate

Employed in the preparation of dopamine agonists1 and the skeleton of tetracyclic diterpenes.2

The Uses of Ethyl 4-oxocyclohexanecarboxylate

Employed in the preparation of dopamine agonists and the skeleton of tetracyclic diterpenes.

The Uses of Ethyl 4-oxocyclohexanecarboxylate

Ethyl 4-oxocyclohexanecarboxylate is a cyclohexanone derivative used in the study of cyclohexanone monooxygenase and its mutants as catalysts.It is also employed in the preparation of dopamine agonists1 and the skeleton of tetracyclic diterpenes.

Definition

ChEBI: Ethyl 4-oxocyclohexanecarboxylate is an ethyl ester resulting from the formal condensation of the carboxy group of 4-oxocyclohexanecarboxylic acid with ethanol. It is an ethyl ester, a cyclohexanecarboxylate ester and a member of cyclohexanones. It is functionally related to a 4-oxocyclohexanecarboxylic acid.

Properties of Ethyl 4-oxocyclohexanecarboxylate

Melting point: 221-226 °C
Boiling point: 150-152 °C/40 mmHg (lit.)
Density  1.068 g/mL at 25 °C (lit.)
refractive index  n20/D 1.461(lit.)
Flash point: >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform, Methanol
form  Liquid
color  Clear colorless to yellow
Specific Gravity 1.07
Water Solubility  insoluble
BRN  2520501
CAS DataBase Reference 17159-79-4(CAS DataBase Reference)

Safety information for Ethyl 4-oxocyclohexanecarboxylate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for Ethyl 4-oxocyclohexanecarboxylate

InChIKey ZXYAWONOWHSQRU-UHFFFAOYSA-N

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