2-Methyl-1,4-benzenedicarboxylic acid
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- logP
- 1.39Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled90.3% of notifiers
- H302 Harmful if swallowed96.8% of notifiers
- H312 Harmful in contact with skin96.8% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled96.8% of notifiers
- H335 May cause respiratory irritation96.8% of notifiers
Aggregated from 31 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5156-01-4SMILES
CC1=C(C=CC(=C1)C(=O)O)C(=O)OInChIKey
UFMBOFGKHIXOTA-UHFFFAOYSA-NInChI
InChI=1S/C9H8O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Methylterephthalic acid
Work with 2-Methyl-1,4-benzenedicarboxylic acid
Similar compounds
4-Acetyl-2-methylbenzoic acid55860-35-077 % similar
3,4-Dimethylbenzoic acid619-04-572 % similar
2,4-Dimethylbenzoic acid611-01-868 % similar
4-Hydroxy-3-methylbenzoic acid499-76-366 % similar
4-Iodo-3-methylbenzoic acid52107-87-666 % similar
4-Hydroxy-2-methylbenzoic acid578-39-266 % similar
Trimellitic acid528-44-966 % similar
2,5-Dimethylterephthalic acid6051-66-764 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.