Ethyl α-acetylbenzeneacetate

CAS Registry Number®

5413-05-8

CAS Name

Ethyl α-acetylbenzeneacetate

Molecular Formula

C12H14O3

Molecular Mass

206.24

Cite this Page

Ethyl α-acetylbenzeneacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5413-05-8 (retrieved 2024-11-21) (CAS RN: 5413-05-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    144.5-145.5 °C @ Press: 5 Torr

  • Density (1)

    1.096 g/cm³ @ Temp: 21 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3

InChIKey

InChIKey=PWRUKIPYVGHRFL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzeneacetic acid, α-acetyl-, ethyl ester
  • Acetoacetic acid, 2-phenyl-, ethyl ester
  • Acetoacetic acid, phenyl-, ethyl ester
  • Ethyl α-acetylbenzeneacetate
  • Ethyl 2-phenylacetoacetate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration