(3E)-5-Methyl-3-hexen-2-one

CAS Registry Number®

1821-29-0

CAS Name

(3E)-5-Methyl-3-hexen-2-one

Molecular Formula

C7H12O

Molecular Mass

112.17

Cite this Page

(3E)-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=1821-29-0 (retrieved 2024-11-21) (CAS RN: 1821-29-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    63-65 °C @ Press: 20 Torr

  • Density (1)

    0.8407 g/cm³ @ Temp: 22 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+

InChIKey

InChIKey=IYMKNYVCXUEFJE-SNAWJCMRSA-N

SMILES

C(=C/C(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-, (3E)-
  • 3-Hexen-2-one, 5-methyl-, (E)-
  • (3E)-5-Methyl-3-hexen-2-one
  • 5-Methyl-3E-hexen-2-one
  • trans-5-Methyl-3-hexen-2-one

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration