2,4,6-Trimethylbenzeneacetic acid
Properties
- Molecular formula
- C11H14O2
- Molar mass
- 178.23 g/mol
- Exact mass
- 178.0994 Da
- Melting point
- 172–172.5 °C
- logP
- 2.24Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed16.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
Aggregated from 6 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4408-60-0SMILES
Cc1cc(C)c(CC(=O)O)c(C)c1InChIKey
CQWMQAKKAHTCSC-UHFFFAOYSA-NInChI
InChI=1S/C11H14O2/c1-7-4-8(2)10(6-11(12)13)9(3)5-7/h4-5H,6H2,1-3H3,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzeneacetic acid, 2,4,6-trimethyl-
- Acetic acid, mesityl-
- 2,4,6-Trimethyl-α-toluic acid
- 2,4,6-Trimethylphenylacetic acid
- Mesitylacetic acid
- NSC 11348
- 2-(2,4,6-Trimethylphenyl)acetic acid
- 2-Mesitylacetic acid
Reactions
Work with 2,4,6-Trimethylbenzeneacetic acid
Similar compounds
3,5-Dimethylphenylacetic acid42288-46-061 % similar
2,5-Dimethylbenzeneacetic acid13612-34-557 % similar
p-Tolylacetic acid622-47-952 % similar
Ethyl mesitylacetate5460-08-251 % similar
(3-Methylphenyl)acetic acid621-36-350 % similar
2,4-Xylyloxyacetic acid13334-49-149 % similar
(2-Methylphenyl)acetic acid644-36-049 % similar
2,4,6-Trimethylbenzoic acid480-63-748 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.