Methyl acetoacetate

CAS Registry Number®

105-45-3

CAS Name

Methyl acetoacetate

Molecular Formula

C5H8O3

Molecular Mass

116.12

Cite this Page

Methyl acetoacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105-45-3 (retrieved 2024-11-21) (CAS RN: 105-45-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    171.7 °C

  • Melting Point (2)

    -27 °C

  • Density (1)

    1.0762 g/cm³ @ Temp: 20 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3

InChIKey

InChIKey=WRQNANDWMGAFTP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 3-oxo-, methyl ester
  • Acetoacetic acid, methyl ester
  • Methyl acetoacetate
  • Methyl acetylacetate
  • Methyl 3-oxobutyrate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration