4-Hexylbenzoic acid

CAS Registry Number®

21643-38-9

CAS Name

4-Hexylbenzoic acid

Molecular Formula

C13H18O2

Molecular Mass

206.28

Cite this Page

4-Hexylbenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21643-38-9 (retrieved 2025-03-31) (CAS RN: 21643-38-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    97.49 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3,(H,14,15)

InChIKey

InChIKey=CPEPWESLFZVUEP-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC=C(CCCCCC)C=C1

Canonical SMILES

O=C(O)C1=CC=C(C=C1)CCCCCC

Other Names for this Substance

  • Benzoic acid, 4-hexyl-
  • Benzoic acid, p-hexyl-
  • 4-Hexylbenzoic acid
  • p-Hexylbenzoic acid
  • 4-n-Hexylbenzoic acid

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