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CAS Number: 33668-25-6
ethyl 3-oxocyclohexanecarboxylate

Structure

 ethyl 3-oxocyclohexanecarboxylate
Name: ethyl 3-oxocyclohexanecarboxylate
Synonyms:
General Information
Product Number: 33668256

CAS Registry Number 33668-25-6
Name:
Cyclohexanecarboxyli?c acid, 3-?oxo-?, ethyl ester
3-Cyclohexanonecarboxylic acid ethyl ester
3-Oxocyclohexanecarboxylic acid ethyl ester
Ethyl 3-oxocyclohexanecarboxylate
Ethyl cyclohexanone-β-carboxylate

 

Chemical Formula: C9H14O3
Exact Mass: 170.09
Molecular Weight: 170.21
m/z: 170.09 (100.0%), 171.10 (10.0%), 172.10 (1.1%)

 

InChI:InChI=1S/C9H14O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h7H,2-6H2,1H3

InChI Key:YLRVJPQVDQQBOX-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1CCCC(=O)C1

 

Thermal Properties Value Condition Note
Boiling Point 130.5 °C Press: 10 Torr (1)CAS
Boiling Point 76-83 °C Press: 0.1 Torr (2)IC

Specification

98%
References
  1. (1) Komppa, Gust.; Annalen der Chemie, Justus Liebigs 1936, V521, P242-61 CAPLUS
  2. (2) Maillard, Jacques; European Journal of Medicinal Chemistry 1984, V19(5), P457-60 CAPLUS
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