2-Octanone

CAS Registry Number®

111-13-7

CAS Name

2-Octanone

Molecular Formula

C8H16O

Molecular Mass

128.21

Cite this Page

2-Octanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111-13-7 (retrieved 2024-11-24) (CAS RN: 111-13-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    172-173 °C

  • Melting Point (1)

    -16 °C

  • Density (1)

    0.820 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3

InChIKey

InChIKey=ZPVFWPFBNIEHGJ-UHFFFAOYSA-N

SMILES

C(CC(C)=O)CCCC

Canonical SMILES

O=C(C)CCCCCC

Other Names for this Substance

  • 2-Octanone
  • Hexyl methyl ketone
  • Methyl hexyl ketone
  • Methyl n-hexyl ketone
  • n-Hexyl methyl ketone

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