2-Propylhexanoic acid

CAS Registry Number®

3274-28-0

CAS Name

2-Propylhexanoic acid

Molecular Formula

C9H18O2

Molecular Mass

158.24

Cite this Page

2-Propylhexanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3274-28-0 (retrieved 2024-11-24) (CAS RN: 3274-28-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    127 °C @ Press: 5 Torr

  • Density (2)

    0.914 g/cm³

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=HWXRWNDOEKHFTL-UHFFFAOYSA-N

SMILES

C(CCCC)(CCC)C(O)=O

Canonical SMILES

O=C(O)C(CCC)CCCC

Other Names for this Substance

  • Hexanoic acid, 2-propyl-
  • 2-Propylhexanoic acid
  • 4-Octanecarboxylic acid

Deleted or Replaced CAS Registry Numbers

152916-69-3

CAS INSIGHTSTM
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