Benzoic acid, 4-butyl-, methyl ester

CAS Registry Number®

20651-69-8

CAS Name

Benzoic acid, 4-butyl-, methyl ester

Molecular Formula

C12H16O2

Molecular Mass

192.25

Cite this Page

Benzoic acid, 4-butyl-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20651-69-8 (retrieved 2024-11-29) (CAS RN: 20651-69-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    69-70 °C @ Press: 0.13 Torr

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C12H16O2/c1-3-4-5-10-6-8-11(9-7-10)12(13)14-2/h6-9H,3-5H2,1-2H3

InChIKey

InChIKey=XJRYQLPELPLPHZ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-butyl-, methyl ester
  • Benzoic acid, p-butyl-, methyl ester
  • Methyl 4-butylbenzoate

CAS INSIGHTSTM
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