Hexanoic acid, 2-ethyl-3-oxo-, methyl ester

CAS Registry Number®

68039-27-0

CAS Name

Hexanoic acid, 2-ethyl-3-oxo-, methyl ester

Molecular Formula

C9H16O3

Molecular Mass

172.22

Cite this Page

Hexanoic acid, 2-ethyl-3-oxo-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68039-27-0 (retrieved 2024-12-19) (CAS RN: 68039-27-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    101-104 °C @ Press: 20 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H16O3/c1-4-6-8(10)7(5-2)9(11)12-3/h7H,4-6H2,1-3H3

InChIKey

InChIKey=BCOAUCOBZITYQI-UHFFFAOYSA-N

SMILES

C(C(CCC)=O)(C(OC)=O)CC

Canonical SMILES

O=C(OC)C(C(=O)CCC)CC

Other Names for this Substance

  • Hexanoic acid, 2-ethyl-3-oxo-, methyl ester
  • Methyl 2-ethyl-3-oxohexanoate

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.