Molecular properties
- Formula
- C13H18O2
- Molar mass
- 206.28 g·mol−1
- Exact mass
- 206.1307 Da
- 5
- PubChem CID
- 30725
Molecule record
4-hexylbenzoic acid
C13H18O2
206.28 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Carboxylic acid
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 21643-38-9
- 244-490-6
- 4-09-00-01934 (Beilstein Handbook Reference)
- 4-n-Hexylbenzoic acid
- 4n-hexylbenzoic acid
- ?-Hexylbenzoic acid
- BENZOIC ACID, p-HEXYL-
- BRN 2046454
Show all 24 synonyms
- Benzoic acid, 4-hexyl-
- CHEMBL390624
- CPEPWESLFZVUEP-UHFFFAOYSA-N
- DTXCID8036526
- DTXSID7066720
- EINECS 244-490-6
- MFCD00013997
- Maybridge1_002028
- NSC 172887
- RefChem:99105
- SCHEMBL503506
- UNII-VF567YY01P
- VF567YY01P
- p-Hexylbenzoic acid
- p-n-Hexylbenzoic acid
- para-n-hexyl benzoic acid
Structure identifiers
- Canonical SMILES
- CCCCCCc1ccc(C(=O)O)cc1
- Isomeric SMILES
- CCCCCCC1=CC=C(C=C1)C(=O)O
- 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
- CPEPWESLFZVUEP-UHFFFAOYSA-N
- PubChem CID
- 30725
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 4-hexylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-hexylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.