Acetylacetone

CAS Registry Number®

123-54-6

CAS Name

Acetylacetone

Molecular Formula

C5H8O2

Molecular Mass

100.12

Cite this Page

Acetylacetone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=123-54-6 (retrieved 2024-11-21) (CAS RN: 123-54-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    140 °C

  • Melting Point (2)

    -23 °C

  • Density (2)

    0.9721 g/cm³ @ Temp: 25 °C

Source(s)

  • (1) International Chemical Safety Cards data were obtained from the National Institute for Occupational Safety and Health (US)
  • (2) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3

InChIKey

InChIKey=YRKCREAYFQTBPV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2,4-Pentanedione
  • Acetylacetone
  • Diacetylmethane
  • 2-Propanone, acetyl-
  • 2,4-Dioxopentane

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Deleted or Replaced CAS Registry Numbers

81235-32-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration