4-Methyloctanoic acid

CAS Registry Number®

54947-74-9

CAS Name

4-Methyloctanoic acid

Molecular Formula

C9H18O2

Molecular Mass

158.24

Cite this Page

4-Methyloctanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54947-74-9 (retrieved 2024-11-22) (CAS RN: 54947-74-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    140-142 °C @ Press: 10 Torr

  • Melting Point (2)

    110.5-111.5 °C

  • Density (2)

    0.091518 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=LEGGANXCVQPIAI-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CCC(C)CCCC

Other Names for this Substance

  • Octanoic acid, 4-methyl-
  • 4-Methyloctanoic acid
  • 4-Methylcaprylic acid
  • Hircinoic acid

Deleted or Replaced CAS Registry Numbers

153831-54-0

CAS INSIGHTSTM
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