3-Methyl-3-hepten-2-one

CAS Registry Number®

39899-08-6

CAS Name

3-Methyl-3-hepten-2-one

Molecular Formula

C8H14O

Molecular Mass

126.20

Cite this Page

3-Methyl-3-hepten-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39899-08-6 (retrieved 2025-01-31) (CAS RN: 39899-08-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    169-171 °C @ Press: 680 Torr

  • Density (1)

    0.8555 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C8H14O/c1-4-5-6-7(2)8(3)9/h6H,4-5H2,1-3H3

InChIKey

InChIKey=IZBMUZVSTLWUTH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 3-Hepten-2-one, 3-methyl-
  • 3-Methyl-3-hepten-2-one