Phenyl 3-oxobutanoate

CAS Registry Number®

6864-62-6

CAS Name

Phenyl 3-oxobutanoate

Molecular Formula

C10H10O3

Molecular Mass

178.18

Cite this Page

Phenyl 3-oxobutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6864-62-6 (retrieved 2024-11-23) (CAS RN: 6864-62-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    136 °C @ Press: 5 Torr

  • Melting Point (1)

    42.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H10O3/c1-8(11)7-10(12)13-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

InChIKey=PFENPVAFZTUOOM-UHFFFAOYSA-N

SMILES

O(C(CC(C)=O)=O)C1=CC=CC=C1

Canonical SMILES

O=C(OC=1C=CC=CC1)CC(=O)C

Other Names for this Substance

  • Butanoic acid, 3-oxo-, phenyl ester
  • Acetoacetic acid, phenyl ester
  • Phenyl 3-oxobutanoate
  • Phenyl acetoacetate
  • Phenyl acetylacetate

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