Molecular properties
- Formula
- C11H14O2
- Molar mass
- 178.23 g·mol−1
- Exact mass
- 178.0994 Da
- 5
- PubChem CID
- 171526
Molecule record
2-butylbenzoic acid
C11H14O2
178.23 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-n-Butylbenzoic acid
- 31627-70-0
- 54887-23-9
- AKOS023429894
- Benzoic acid, 2-butyl-
- Benzoic acid, butyl-
- Benzoicacid, butyl-
- DB-208296
Show all 18 synonyms
- DTXCID70107999
- DTXSID00185508
- EN300-159730
- MFCD20638242
- RefChem:327709
- SCHEMBL165530
- SCHEMBL2171647
- SCHEMBL27810240
- SCHEMBL9047296
- butylbenzoic acid
Structure identifiers
- Canonical SMILES
- CCCCc1ccccc1C(=O)O
- Isomeric SMILES
- CCCCC1=CC=CC=C1C(=O)O
- InChI
- InChI=1S/C11H14O2/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)
- InChIKey
- SMNNDVUKAKPGDD-UHFFFAOYSA-N
- PubChem CID
- 171526
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-butylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-butylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.