Acetoacetic acid

CAS Registry Number®

541-50-4

CAS Name

Acetoacetic acid

Molecular Formula

C4H6O3

Molecular Mass

102.09

Cite this Page

Acetoacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=541-50-4 (retrieved 2025-07-18) (CAS RN: 541-50-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    80 °C @ Press: 20 Torr

  • Melting Point (2)

    36.5 °C

  • Density (3)

    1.07 g/cm³ @ Temp: 25 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)

InChIKey

InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 3-oxo-
  • Acetoacetic acid
  • 3-Oxobutanoic acid
  • Acetic acid, acetyl-
  • Acetonecarboxylic acid

View All

Deleted or Replaced CAS Registry Numbers

161879-89-6

CAS INSIGHTSTM
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