Molecular properties
- Formula
- C11H14O2
- Molar mass
- 178.23 g·mol−1
- Exact mass
- 178.0994 Da
- 5
- PubChem CID
- 88631
Molecule record
4-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
- 20651-71-2
- 243-940-9
- 25651-71-2
- 4-Butyl-benzoic acid
- 4-n-Butylbenzoic acid
- 4-n-butyl benzoic acid
- AB01109231-03
- AC-18363
Show all 24 synonyms
- AKOS000200682
- Benzoic acid, 4-butyl-
- DTXCID3036361
- DTXSID8066638
- EINECS 243-940-9
- JFKUBRAOUZEZSL-UHFFFAOYSA-N
- MFCD00002571
- NCGC00339428-01
- RefChem:98250
- SCHEMBL181230
- STL197591
- Z57169481
- p-Butylbenzoic Acid; 4-n-Butylbenzoic Acid; p-n-Butylbenzoic Acid;
- p-Butylbenzoic acid
- p-n-Butylbenzoic acid
- p-n-butyl benzoic acid
Structure identifiers
- Canonical SMILES
- CCCCc1ccc(C(=O)O)cc1
- Isomeric SMILES
- CCCCC1=CC=C(C=C1)C(=O)O
- InChI
- InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
- InChIKey
- JFKUBRAOUZEZSL-UHFFFAOYSA-N
- PubChem CID
- 88631
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-butylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-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.