2-Methoxy-6-methylbenzoic acid
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Melting point
- 137–138 °C
- Boiling point
- 140 °C (at 18 Torr)
- logP
- 1.70Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed40% of notifiers
- H315 Causes skin irritation60% of notifiers
- H318 Causes serious eye damage60% of notifiers
- H319 Causes serious eye irritation20% of notifiers
- H335 May cause respiratory irritation20% of notifiers
Aggregated from 5 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
6161-65-5SMILES
COc1cccc(C)c1C(=O)OInChIKey
MICCJGFEXKNBLU-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzoic acid, 2-methoxy-6-methyl-
- o-Anisic acid, 6-methyl-
- NSC 118167
Work with 2-Methoxy-6-methylbenzoic acid
Similar compounds
2,6-Dimethoxybenzoic acid1466-76-877 % similar
2,6-Dimethylbenzoic acid632-46-268 % similar
2-Hydroxy-6-methoxybenzoic acid3147-64-667 % similar
2-Bromo-6-methoxybenzoic acid31786-45-567 % similar
2-Amino-6-methoxybenzoic acid53600-33-267 % similar
2-Fluoro-6-methoxybenzoic acid137654-21-865 % similar
6-Methylanthranilic acid4389-50-861 % similar
2-Chloro-6-methylbenzoic acid21327-86-658 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.