Molecular properties
- Formula
- C12H16O2
- Molar mass
- 192.26 g·mol−1
- Exact mass
- 192.1150 Da
- 5
- PubChem CID
- 33479
Molecule record
4-pentylbenzoic acid
C12H16O2
192.26 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
- 3-09-00-02551 (Beilstein Handbook Reference)
- 4-Amylbenzoic acid
- 4-n-Pentylbenzoic acid
- 4Amylbenzoic acid
- 4nPentylbenzoic acid
- BENZOIC ACID, p-PENTYL-
- BRN 2044798
- Benzoic acid, 4-pentyl-
Show all 24 synonyms
- Benzoic acid, 4pentyl
- Benzoic acid, ppentyl
- DTXSID6067200
- EINECS 247-607-9
- ET3KL92DDG
- NSC 169024
- Para-Pentylbenzoic acid
- ParaPentylbenzoic acid
- RefChem:100308
- UNII-ET3KL92DDG
- p-Amylbenzoic acid
- p-Pentylbenzoic acid
- p-n-Amylbenzoic acid
- p-n-pentylbenzoic acid
- pAmylbenzoic acid
- pPentylbenzoic acid
Structure identifiers
- Canonical SMILES
- CCCCCc1ccc(C(=O)O)cc1
- Isomeric SMILES
- CCCCCC1=CC=C(C=C1)C(=O)O
- InChI
- InChI=1S/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
- InChIKey
- CWYNKKGQJYAHQG-UHFFFAOYSA-N
- PubChem CID
- 33479
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-pentylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-pentylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.