Butanoic acid, 3-oxo-, 1-phenylethyl ester

CAS Registry Number®

40552-84-9

CAS Name

Butanoic acid, 3-oxo-, 1-phenylethyl ester

Molecular Formula

C12H14O3

Molecular Mass

206.24

Cite this Page

Butanoic acid, 3-oxo-, 1-phenylethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40552-84-9 (retrieved 2024-11-22) (CAS RN: 40552-84-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    133-140 °C @ Press: 3 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14O3/c1-9(13)8-12(14)15-10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3

InChIKey

InChIKey=GSBJXOIVIOYPOW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 3-oxo-, 1-phenylethyl ester
  • α-Methylbenzyl acetoacetate
  • 1-Phenylethyl acetoacetate
  • 1-Phenylethyl 3-oxobutanoate

Deleted or Replaced CAS Registry Numbers

134174-91-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration