2-Methyloctanoic acid

CAS Registry Number®

3004-93-1

CAS Name

2-Methyloctanoic acid

Molecular Formula

C9H18O2

Molecular Mass

158.24

Cite this Page

2-Methyloctanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=128441-05-4 (retrieved 2024-11-24) (CAS RN: 3004-93-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    115 °C @ Press: 3 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)

InChIKey

InChIKey=YSEQNZOXHCKLOG-UHFFFAOYSA-N

SMILES

C(CCCCCC)(C(O)=O)C

Canonical SMILES

O=C(O)C(C)CCCCCC

Other Names for this Substance

  • Octanoic acid, 2-methyl-
  • 2-Methyloctanoic acid
  • α-Methylcaprylic acid
  • (±)-2-Methyloctanoic acid
  • NSC 33927

Deleted or Replaced CAS Registry Numbers

128441-05-4

CAS INSIGHTSTM
Hourglass and a clock