3,4-Dimethylbenzoic acid
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Melting point
- 165 °C
- logP
- 2.00Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed12.5% of notifiers
- H315 Causes skin irritation87.5% of notifiers
- H319 Causes serious eye irritation87.5% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
619-04-5SMILES
Cc1ccc(C(=O)O)cc1CInChIKey
OPVAJFQBSDUNQA-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzoic acid, 3,4-dimethyl-
- 1-Carboxy-3,4-dimethylbenzene
Work with 3,4-Dimethylbenzoic acid
Similar compounds
3',4'-Dimethyl-biphenyl-4-carboxylic acid122294-09-173 % similar
2-Methyl-1,4-benzenedicarboxylic acid5156-01-472 % similar
4-Hydroxy-3-methylbenzoic acid499-76-370 % similar
4-Iodo-3-methylbenzoic acid52107-87-670 % similar
3-Hydroxy-4-methylbenzoic acid586-30-170 % similar
3-Iodo-4-methylbenzoic acid82998-57-070 % similar
3-Amino-4-methylbenzoic acid2458-12-068 % similar
4-Amino-3-methylbenzoic acid2486-70-668 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.