Molecular properties
- Formula
- C15H22O2
- Molar mass
- 234.34 g·mol−1
- Exact mass
- 234.1620 Da
- 5
- PubChem CID
- 19147
Molecule record
4-octylbenzoic acid
C15H22O2
234.34 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
- 222-692-5
- 3575-31-3
- 4-09-00-01962 (Beilstein Handbook Reference)
- 4-Octylbenzoicacid
- 4-n-Octylbenzoic acid
- 4-octylbenzoic acid (en)
- BENZOIC ACID, p-OCTYL-
- BRN 1954607
Show all 24 synonyms
- Benzoic acid, 4-octyl-
- DTXCID8039085
- DTXSID4063088
- EINECS 222-692-5
- MFCD00042649
- Maybridge1_001984
- NSC 173066
- PWH5I1J38K
- Para-octylbenzoic acid
- RefChem:169370
- UNII-PWH5I1J38K
- ZQLDNJKHLQOJGE-UHFFFAOYSA-N
- p-Octylbenzoic acid
- p-n-Octyl benzoic acid
- p-n-octylbenzoic acid
- p-octyl benzoic acid
Structure identifiers
- Canonical SMILES
- CCCCCCCCc1ccc(C(=O)O)cc1
- Isomeric SMILES
- CCCCCCCCC1=CC=C(C=C1)C(=O)O
- InChI
- InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17)
- InChIKey
- ZQLDNJKHLQOJGE-UHFFFAOYSA-N
- PubChem CID
- 19147
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-octylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-octylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.