Phenylmethyl 4-oxopentanoate

CAS Registry Number®

6939-75-9

CAS Name

Phenylmethyl 4-oxopentanoate

Molecular Formula

C12H14O3

Molecular Mass

206.24

Cite this Page

Phenylmethyl 4-oxopentanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6939-75-9 (retrieved 2024-10-05) (CAS RN: 6939-75-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    181-183 °C

  • Melting Point (2)

    123-124 °C

  • Density (1)

    1.0935 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14O3/c1-10(13)7-8-12(14)15-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3

InChIKey

InChIKey=KWQUVANYFZOCEA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Pentanoic acid, 4-oxo-, phenylmethyl ester
  • Phenylmethyl 4-oxopentanoate
  • Benzyl levulinate
  • NSC 406336
  • NSC 57643

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