Methyl 4-(1-oxobutyl)benzoate

CAS Registry Number®

71616-83-6
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CAS Name

Methyl 4-(1-oxobutyl)benzoate

Molecular Formula

C12H14O3

Molecular Mass

206.24

Cite this Page

Methyl 4-(1-oxobutyl)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71616-83-6 (retrieved 2024-09-17) (CAS RN: 71616-83-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14O3/c1-3-4-11(13)9-5-7-10(8-6-9)12(14)15-2/h5-8H,3-4H2,1-2H3

InChIKey

InChIKey=KTZOAXDUBMENLM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-(1-oxobutyl)-, methyl ester
  • Methyl 4-(1-oxobutyl)benzoate
  • 4-Butyrylbenzoic acid methyl ester
  • Methyl 4-butyrylbenzoate