Benzyl acetoacetate

CAS Registry Number®

5396-89-4

CAS Name

Benzyl acetoacetate

Molecular Formula

C11H12O3

Molecular Mass

192.21

Cite this Page

Benzyl acetoacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5396-89-4 (retrieved 2024-11-22) (CAS RN: 5396-89-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    97 °C @ Press: 12 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChIKey

InChIKey=WOFAGNLBCJWEOE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 3-oxo-, phenylmethyl ester
  • Acetoacetic acid, benzyl ester
  • Benzyl acetoacetate
  • Benzyl acetylacetate
  • Benzyl 3-oxobutanoate

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Deleted or Replaced CAS Registry Numbers

1629358-35-5