3-Methyl-3-buten-2-one

CAS Registry Number®

814-78-8

CAS Name

3-Methyl-3-buten-2-one

Molecular Formula

C5H8O

Molecular Mass

84.12

Cite this Page

3-Methyl-3-buten-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=814-78-8 (retrieved 2024-11-21) (CAS RN: 814-78-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    98 °C

  • Melting Point (1)

    -54 °C

  • Density (1)

    0.8527 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/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3

InChIKey

InChIKey=ZGHFDIIVVIFNPS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 3-Buten-2-one, 3-methyl-
  • 3-Methyl-3-buten-2-one
  • Isopropenyl methyl ketone
  • 2-Methyl-1-buten-3-one
  • Methyl isopropenyl ketone

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration