Molecular properties
- Formula
- C11H14O2
- Molar mass
- 178.23 g·mol−1
- Exact mass
- 178.0994 Da
- 5
- PubChem CID
- 136850
Molecule record
2-tert-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
- 1077-58-3
- 10J83R40WM
- 1320-16-7
- 2-(1,1-Dimethylethyl)benzoic Acid; NSC 86592; o-tert-Butylbenzoic Acid
- 2-(1,1-dimethylethyl)benzoic acid
- 215-299-5
- 630-163-9
- AKOS006330298
Show all 24 synonyms
- Benzoic acid, (1,1-dimethylethyl)-
- Benzoic acid, 2-(1,1-dimethylethyl)-
- Benzoic acid, tert-butyl-
- C14140
- CS-0130917
- EINECS 215-299-5
- EN300-112788
- MFCD09258829
- NSC-86592
- NSC86592
- Q27251144
- RefChem:896545
- UGL7Q68L1S
- UNII-10J83R40WM
- o-tert-butylbenzoic acid
- tert-Butylbenzoic acid
Structure identifiers
- Canonical SMILES
- CC(C)(C)c1ccccc1C(=O)O
- Isomeric SMILES
- CC(C)(C)C1=CC=CC=C1C(=O)O
- InChI
- InChI=1S/C11H14O2/c1-11(2,3)9-7-5-4-6-8(9)10(12)13/h4-7H,1-3H3,(H,12,13)
- InChIKey
- ZDFKSZDMHJHQHS-UHFFFAOYSA-N
- PubChem CID
- 136850
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-tert-butylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-tert-butylbenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.