2,4,6-Trimethylbenzoic acid
Properties
- Molecular formula
- C10H12O2
- Molar mass
- 164.20 g/mol
- Exact mass
- 164.0837 Da
- Density
- 1.16 g/mL
- Melting point
- 154 °C
- logP
- 2.31Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
480-63-7SMILES
Cc1cc(C)c(C(=O)O)c(C)c1InChIKey
FFFIRKXTFQCCKJ-UHFFFAOYSA-NInChI
InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzoic acid, 2,4,6-trimethyl-
- β-Isodurylic acid
- Mesitoic acid
- Mesitylenecarboxylic acid
- NSC 1119
- NSC 203160
- NSC 407983
Reactions
Work with 2,4,6-Trimethylbenzoic acid
Similar compounds
2,6-Dihydroxy-4-methylbenzoic acid480-67-162 % similar
2,6-Dimethylbenzoic acid632-46-261 % similar
Dimesityl ketone5623-45-059 % similar
2,4-Dimethylbenzoic acid611-01-858 % similar
3,5-Dimethylbenzoic acid499-06-957 % similar
Uvitic acid499-49-057 % similar
2′,4′,6′-Trimethylacetophenone1667-01-255 % similar
2′,4′,6′-Trimethylacetophenone51885-97-355 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds