4-(1,1-Dimethylethyl)-3-methoxybenzoic acid
Properties
- Molecular formula
- C12H16O3
- Molar mass
- 208.26 g/mol
- Exact mass
- 208.1099 Da
- Melting point
- 150–151 °C
- logP
- 2.69Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed95% of notifiers
- H411 Toxic to aquatic life with long lasting effects95% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P273, P301+P317, P330, P391, P501
Identifiers
CAS number
79822-46-1SMILES
COc1cc(C(=O)O)ccc1C(C)(C)CInChIKey
CSJQLIMNCLFPLZ-UHFFFAOYSA-NInChI
InChI=1S/C12H16O3/c1-12(2,3)9-6-5-8(11(13)14)7-10(9)15-4/h5-7H,1-4H3,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 4-(1,1-dimethylethyl)-3-methoxy-
- m-Anisic acid, 4-tert-butyl-
- 4-tert-Butyl-3-methoxybenzoic acid
- 3-Methoxy-4-t-butylbenzoic acid
- 3-Methoxy-4-tert-butyl-Benzoic acid
- 3-Methoxy-4-tert-butylbenzoicacid
Work with 4-(1,1-Dimethylethyl)-3-methoxybenzoic acid
Similar compounds
3-Methoxy-4-(trifluoromethyl)benzoic acid276861-63-372 % similar
Veratric acid93-07-267 % similar
Vanillic acid121-34-662 % similar
4-Amino-3-methoxybenzoic acid2486-69-362 % similar
4-Methyl-m-anisic acid7151-68-062 % similar
4-Bromo-3-methoxybenzoic acid56256-14-560 % similar
4-Fluoro-3-methoxybenzoic acid82846-18-260 % similar
4-Chloro-3-methoxybenzoic acid85740-98-360 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.