Molecular properties
- Formula
- C11H14O2
- Molar mass
- 178.23 g·mol−1
- Exact mass
- 178.0994 Da
- 5
- PubChem CID
- 7403
Molecule record
4-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
- 202-696-3
- 4-(1,1-dimethylethyl)benzoic acid
- 4-(tert-Butyl)benzoicacid
- 4-t-butylbenzoic acid
- 4-tert-Butyl-benzoic acid
- 43Z7T3VN0R
- 98-73-7
- BRN 0607545
Show all 24 synonyms
- Benzoic acid, 4-(1,1-dimethylethyl)-
- Benzoic acid, 4-tert-butyl-
- Benzoic acid, p-tert-butyl-
- CHEMBL93746
- DTXCID8020703
- DTXSID0040703
- EINECS 202-696-3
- HSDB 5321
- Kyselina p-terc.butylbenzoova
- Kyselina p-terc.butylbenzoova [Czech]
- MFCD00002563
- NSC-4802
- P-TERT-BUTYLBENZOIC ACID
- RefChem:100513
- TBBA
- p-t-Butylbenzoic acid
Structure identifiers
- Canonical SMILES
- CC(C)(C)c1ccc(C(=O)O)cc1
- Isomeric SMILES
- CC(C)(C)C1=CC=C(C=C1)C(=O)O
- InChI
- InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
- InChIKey
- KDVYCTOWXSLNNI-UHFFFAOYSA-N
- PubChem CID
- 7403
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-tert-butylbenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 4-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.