p-Toluic acid
Properties
- Molecular formula
- C8H8O2
- Molar mass
- 136.15 g/mol
- Exact mass
- 136.0524 Da
- Density
- 1.25 g/mL
- Melting point
- 179.6 °C
- Water solubility
- < 1 g/L (18.9 °C)
- logP
- 1.69Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation10.6% of notifiers
- H317 May cause an allergic skin reaction86.7% of notifiers
- H319 Causes serious eye irritation11.7% of notifiers
Aggregated from 180 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
99-94-5SMILES
Cc1ccc(C(=O)O)cc1InChIKey
LPNBBFKOUUSUDB-UHFFFAOYSA-NInChI
InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Benzoic acid, 4-methyl-
- 4-Methylbenzoic acid
- Crithminic acid
- p-Methylbenzoic acid
- p-Carboxytoluene
- p-Tolylcarboxylic acid
- p-Toluylic acid
- NSC 2215
Reactions
Work with p-Toluic acid
Similar compounds
4'-Methyl-4-biphenylcarboxylic acid720-73-088 % similar
Terephthalic acid100-21-071 % similar
Tetrakis(4-carboxyphenyl)ethylene1351279-73-663 % similar
[P-Terphenyl]-4,4''-dicarboxylic acid13653-84-463 % similar
[1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-263 % similar
3,5-Dimethylbenzoic acid499-06-962 % similar
Uvitic acid499-49-062 % similar
4'-Methylbiphenyl-3-carboxylic acid147404-69-159 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.