5-Methyl-3-hexen-2-one

CAS Registry Number®

5166-53-0

CAS Name

5-Methyl-3-hexen-2-one

Molecular Formula

C7H12O

Molecular Mass

112.17

Cite this Page

5-Methyl-3-hexen-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5166-53-0 (retrieved 2024-11-24) (CAS RN: 5166-53-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    156 °C @ Press: 757 Torr

  • Density (1)

    0.8484 g/cm³ @ Temp: 18.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3

InChIKey

InChIKey=IYMKNYVCXUEFJE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 3-Hexen-2-one, 5-methyl-
  • 5-Methyl-3-hexen-2-one
  • 2-Oxo-5-methylhex-3-ene
  • 5-Methyl-3-hexene-2-one

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