para-tert-Butylbenzoic acid
Properties
- Molecular formula
- C11H14O2
- Molar mass
- 178.23 g/mol
- Exact mass
- 178.0994 Da
- Density
- 1.142 g/mL (at 20 °C)
- Melting point
- 164.5–165.5 °C
- Flash point
- 158 °C
- logP
- 2.68Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H360F May damage fertilityReproductive toxicity
- H372 Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
Harmonised EU classification (CLP Annex VI, index 607-698-00-1), via PubChem.
Precautionary statements
P203, P260, P264, P270, P280, P301+P317, P318, P319, P330, P405, P501
Identifiers
CAS number
98-73-7SMILES
CC(C)(C)c1ccc(C(=O)O)cc1InChIKey
KDVYCTOWXSLNNI-UHFFFAOYSA-NInChI
InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Benzoic acid, 4-(1,1-dimethylethyl)-
- Benzoic acid, p-tert-butyl-
- 4-(1,1-Dimethylethyl)benzoic acid
- 4-tert-Butylbenzoic acid
- p-tert-Butylbenzoic acid
- p-t-Butylbenzoic acid
- p-tert-Butylphenylcarboxylic acid
- NSC 4802
- 4-t-Butylbenzoic acid
- 4-Tertiary-butylbenzoic acid
Work with para-tert-Butylbenzoic acid
Similar compounds
4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid5748-42-589 % similar
Tetrakis(4-carboxyphenyl)methane160248-28-267 % similar
3,5-Bis(tert-butyl)benzoic acid16225-26-666 % similar
5-tert-Butylisophthalic acid2359-09-366 % similar
Terephthalic acid100-21-063 % similar
4-(Trifluoromethyl)benzoic acid455-24-360 % similar
Alpha-Methyl-4-carboxyphenylglycine146669-29-657 % similar
p-(tert-Butyl)benzamide56108-12-457 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.