3-Methyl-4-octanone

CAS Registry Number®

20754-04-5

CAS Name

3-Methyl-4-octanone

Molecular Formula

C9H18O

Molecular Mass

142.24

Cite this Page

3-Methyl-4-octanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20754-04-5 (retrieved 2024-11-24) (CAS RN: 20754-04-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    174 °C

  • Density (1)

    0.829 g/cm³ @ Temp: 14 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H18O/c1-4-6-7-9(10)8(3)5-2/h8H,4-7H2,1-3H3

InChIKey

InChIKey=NXTOCVYXABBSGX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(CCCC)C(C)CC

Other Names for this Substance

  • 4-Octanone, 3-methyl-
  • 3-Methyl-4-octanone
  • Butyl sec-butyl ketone

CAS INSIGHTSTM
Hourglass and a clock