o-Tolylacetic acid ethyl ester
Properties
- Molecular formula
- C11H14O2
- Molar mass
- 178.23 g/mol
- Exact mass
- 178.0994 Da
- Density
- 0.9988 g/mL (at 25 °C)
- Boiling point
- 76–77 °C (at 3 Torr)
- logP
- 2.10Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% 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
40291-39-2SMILES
CCOC(=O)Cc1ccccc1CInChIKey
HTDQOYWJDUMNHX-UHFFFAOYSA-NInChI
InChI=1S/C11H14O2/c1-3-13-11(12)8-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzeneacetic acid, 2-methyl-, ethyl ester
- Acetic acid, o-tolyl-, ethyl ester
- Ethyl o-tolylacetate
- Ethyl (2-methylphenyl)acetate
- Ethyl 2-methylbenzeneacetate
- NSC 78459
Work with o-Tolylacetic acid ethyl ester
Similar compounds
Ethyl 1-naphthylacetate2122-70-565 % similar
Ethyl 2-fluorophenylacetate584-74-765 % similar
Ethyl phenylacetate101-97-360 % similar
Ethyl 2-(2-methylphenoxy)acetate93917-68-159 % similar
Ethyl 2-methyl-β-oxobenzenepropanoate51725-82-757 % similar
Ethyl 1H-indole-3-acetate778-82-555 % similar
Ethyl mesitylacetate5460-08-254 % similar
Ethyl p-tolylacetate14062-19-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.