4-Methylphthalic acid
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- Melting point
- 170 °C
- logP
- 1.39Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 40 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
4316-23-8SMILES
Cc1ccc(C(=O)O)c(C(=O)O)c1InChIKey
CWJJAFQCTXFSTA-UHFFFAOYSA-NInChI
InChI=1S/C9H8O4/c1-5-2-3-6(8(10)11)7(4-5)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
4 names
- 1,2-Benzenedicarboxylic acid, 4-methyl-
- Phthalic acid, 4-methyl-
- 4-Methyl-1,2-benzenedicarboxylic acid
- NSC 83573
Work with 4-Methylphthalic acid
Similar compounds
2,5-Dimethylbenzoic acid610-72-072 % similar
2,4-Dimethylbenzoic acid611-01-872 % similar
2-Amino-4-methylbenzoic acid2305-36-470 % similar
4-Methylsalicylic acid50-85-170 % similar
5-Methylsalicylic acid89-56-570 % similar
2-Amino-5-methylbenzoic acid2941-78-868 % similar
2-Fluoro-5-methylbenzoic acid321-12-068 % similar
2-Iodo-5-methylbenzoic acid52548-14-868 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.