Benzoic acid, 4-octyl-, methyl ester

CAS Registry Number®

54256-51-8
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CAS Name

Benzoic acid, 4-octyl-, methyl ester

Molecular Formula

C16H24O2

Molecular Mass

248.36

Cite this Page

Benzoic acid, 4-octyl-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54256-51-8 (retrieved 2024-09-08) (CAS RN: 54256-51-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H24O2/c1-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18-2/h10-13H,3-9H2,1-2H3

InChIKey

InChIKey=NKSKNAWLKUQLNY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-octyl-, methyl ester
  • 4-Octylbenzoic acid methyl ester
  • Methyl 4-octylbenzoate