Octanoic acid, 3-oxo-, methyl ester

CAS Registry Number®

22348-95-4

CAS Name

Octanoic acid, 3-oxo-, methyl ester

Molecular Formula

C9H16O3

Molecular Mass

172.22

Cite this Page

Octanoic acid, 3-oxo-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22348-95-4 (retrieved 2024-10-05) (CAS RN: 22348-95-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    109 °C @ Press: 11 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H16O3/c1-3-4-5-6-8(10)7-9(11)12-2/h3-7H2,1-2H3

InChIKey

InChIKey=YKLCWZMIZHQGFV-UHFFFAOYSA-N

SMILES

C(C(CCCCC)=O)C(OC)=O

Canonical SMILES

O=C(OC)CC(=O)CCCCC

Other Names for this Substance

  • Octanoic acid, 3-oxo-, methyl ester
  • Caprylic acid, β-oxo-, Me ester
  • Methyl 3-oxooctanoate
  • 3-Oxooctanoyl methyl ester

CAS INSIGHTSTM
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