Molecular properties
- Formula
- C12H16O2
- Molar mass
- 192.26 g·mol−1
- Exact mass
- 192.1150 Da
- 5
- PubChem CID
- 10104042
Molecule record
2-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
- 2-pentyl-benzoic acid
- 26311-42-2
- 60510-95-4
- DTXCID70386444
- DTXSID20435618
- JCYPDKSGYHGCCY-UHFFFAOYSA-N
- RefChem:1064113
- SCHEMBL29902881
Show all 14 synonyms
- SCHEMBL623528
- SCHEMBL7470589
- SCHEMBL8059017
- SCHEMBL9048128
- SCHEMBL9172198
- pentylbenzoic acid
Structure identifiers
- Canonical SMILES
- CCCCCc1ccccc1C(=O)O
- Isomeric SMILES
- CCCCCC1=CC=CC=C1C(=O)O
- InChI
- InChI=1S/C12H16O2/c1-2-3-4-7-10-8-5-6-9-11(10)12(13)14/h5-6,8-9H,2-4,7H2,1H3,(H,13,14)
- InChIKey
- JCYPDKSGYHGCCY-UHFFFAOYSA-N
- PubChem CID
- 10104042
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 2-pentylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-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.