Ethyl phenylacetate
Properties
- Molecular formula
- C10H12O2
- Molar mass
- 164.20 g/mol
- Exact mass
- 164.0837 Da
- Density
- 0.9537 g/mL (at 14 °C)
- Melting point
- −29.4 °C
- Boiling point
- 227 °C
- Flash point
- 98.9 °C
- Water solubility
- 1.48 g/L (25 °C)
- logP
- 1.79Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Not classified as hazardous under GHS by 1,782 ECHA notifiers. Aggregated from 1,782 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
101-97-3SMILES
CCOC(=O)Cc1ccccc1InChIKey
DULCUDSUACXJJC-UHFFFAOYSA-NInChI
InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Benzeneacetic acid, ethyl ester
- Acetic acid, phenyl-, ethyl ester
- Ethyl α-toluate
- α-Toluic acid ethyl ester
- Phenylacetic acid ethyl ester
- Ethyl benzeneacetate
- Ethyl phenacetate
- Ethyl 2-phenylethanoate
- 2-Phenylacetic acid ethyl ester
- Ethyl 2-phenylacetate
- NSC 406259
- NSC 8894
- Ethyl α-phenylacetate
Reactions
Work with Ethyl phenylacetate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3-Oxo-4-phenyl-butyric acid ethyl ester718-08-173 % similar
Ethyl 2-(dibenzylamino)acetate77385-90-173 % similar
Ethyl 3-phenylpropanoate2021-28-571 % similar
Ethyl p-tolylacetate14062-19-269 % similar
Ethyl 4-pyridineacetate54401-85-369 % similar
Benzyl phenylacetate102-16-967 % similar
p-Chlorophenylacetic acid ethyl ester14062-24-967 % similar
Ethyl 2-(4-bromophenyl)acetate14062-25-067 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.