Butanoic acid, 4-(3-oxobutyl)phenyl ester

CAS Registry Number®

72727-70-9

CAS Name

Butanoic acid, 4-(3-oxobutyl)phenyl ester

Molecular Formula

C14H18O3

Molecular Mass

234.29

Cite this Page

Butanoic acid, 4-(3-oxobutyl)phenyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72727-70-9 (retrieved 2024-10-03) (CAS RN: 72727-70-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H18O3/c1-3-4-14(16)17-13-9-7-12(8-10-13)6-5-11(2)15/h7-10H,3-6H2,1-2H3

InChIKey

InChIKey=HFHMAFJEDGPVNB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC1=CC=C(C=C1)CCC(=O)C)CCC

Other Names for this Substance

  • Butanoic acid, 4-(3-oxobutyl)phenyl ester
  • Butyric acid, ester with 4-(p-hydroxyphenyl)-2-butanone
  • NSC 39440
  • [4-(3-Oxobutyl)phenyl] butanoate

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