Molecular properties
- Formula
- C11H14O2
- Molar mass
- 178.23 g·mol−1
- Exact mass
- 178.0994 Da
- 5
- PubChem CID
- 2753386
Molecule record
4-butan-2-ylbenzoic 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
- 4-(SEC-BUTYL)BENZOICACID
- 4-sec-Butylbenzoic acid
- 40912-38-7
- AKOS000154709
- AKOS016038107
- CS-0230549
- DB-357555
- DTXCID90324020
Show all 18 synonyms
- DTXSID70372988
- EN300-104412
- G59213
- QBA91238
- RefChem:1070053
- SCHEMBL10738836
- SCHEMBL10738839
- SCHEMBL115710
- Z285150268
- ZRWYTSGILDBAGH-UHFFFAOYSA-N
Structure identifiers
- Canonical SMILES
- CCC(C)c1ccc(C(=O)O)cc1
- Isomeric SMILES
- CCC(C)C1=CC=C(C=C1)C(=O)O
- InChI
- InChI=1S/C11H14O2/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)
- InChIKey
- ZRWYTSGILDBAGH-UHFFFAOYSA-N
- PubChem CID
- 2753386
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-butan-2-ylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-butan-2-ylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.