Methyl phenylacetate
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Density
- 0.9896 g/mL (at 14 °C)
- Melting point
- 107–115 °C
- Boiling point
- 216.5 °C
- Water solubility
- insoluble
- logP
- 1.40Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Not classified as hazardous under GHS by 1,664 ECHA notifiers. Aggregated from 1,664 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
101-41-7SMILES
COC(=O)Cc1ccccc1InChIKey
CRZQGDNQQAALAY-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Benzeneacetic acid, methyl ester
- Acetic acid, phenyl-, methyl ester
- Methyl α-toluate
- Phenylacetic acid methyl ester
- Methyl benzeneacetate
- Methyl benzeneethanoate
- Methyl phenylethanoate
- Methyl α-phenylacetate
- 2-Methoxy-1-phenyl-2-oxoethane
- NSC 401667
- NSC 9405
Work with Methyl 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
4-Benzyloxyphenylacetic acid methyl ester68641-16-773 % similar
Methyl 3-phenylpropionate103-25-369 % similar
p-Tolylacetic acid methyl ester23786-13-267 % similar
Methyl 4-pyridineacetate29800-89-367 % similar
Methyl (4-hydroxyphenyl)acetate14199-15-665 % similar
Methyl 4-methoxybenzeneacetate23786-14-365 % similar
Methyl (4-bromophenyl)acetate41841-16-165 % similar
Methyl 4-chlorobenzeneacetate52449-43-165 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.