Ethyl 3-oxo-2-(phenylmethylene)butanoate

CAS Registry Number®

620-80-4

CAS Name

Ethyl 3-oxo-2-(phenylmethylene)butanoate

Molecular Formula

C13H14O3

Molecular Mass

218.25

Cite this Page

Ethyl 3-oxo-2-(phenylmethylene)butanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=620-80-4 (retrieved 2024-11-25) (CAS RN: 620-80-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    296 °C

  • Melting Point (1)

    60.5 °C

  • Density (2)

    1.5590 g/cm³ @ Temp: 17 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  • (2) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H14O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3

InChIKey

InChIKey=AYZGINZXVVKWKV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 3-oxo-2-(phenylmethylene)-, ethyl ester
  • Cinnamic acid, α-acetyl-, ethyl ester
  • Ethyl 3-oxo-2-(phenylmethylene)butanoate
  • Ethyl 2-benzylideneacetoacetate
  • Ethyl α-acetylcinnamate

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Deleted or Replaced CAS Registry Numbers

111853-44-2, 2616746-85-9

CAS INSIGHTSTM
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