2-Ethylhexanoic acid

CAS Registry Number®

149-57-5

CAS Name

2-Ethylhexanoic acid

Molecular Formula

C8H16O2

Molecular Mass

144.21

Cite this Page

2-Ethylhexanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=149-57-5 (retrieved 2024-11-21) (CAS RN: 149-57-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    228 °C
  • Melting Point (2)

    -59 °C
  • Density (1)

    0.9031 g/cm³ @ Temp: 25 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
  • (2) International Chemical Safety Cards data were obtained from the National Institute for Occupational Safety and Health (US)

Other Names and Identifiers

InChI

InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

InChIKey

InChIKey=OBETXYAYXDNJHR-UHFFFAOYSA-N

SMILES

C(CCCC)(C(O)=O)CC

Canonical SMILES

O=C(O)C(CC)CCCC

Other Names for this Substance

  • Hexanoic acid, 2-ethyl-
  • Caproic acid, α-ethyl-
  • 2-Ethylhexanoic acid
  • Butylethylacetic acid
  • α-Ethylcaproic acid

Deleted or Replaced CAS Registry Numbers

83829-68-9, 202054-39-5