Ethyl 3-phenylpropanoate
Properties
- Molecular formula
- C11H14O2
- Molar mass
- 178.23 g/mol
- Exact mass
- 178.0994 Da
- Density
- 1.009–1.017 g/mL
- Melting point
- 122–124 °C
- Boiling point
- 247.2 °C
- Water solubility
- < 1 g/L (25 °C)
- logP
- 2.18Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Not classified as hazardous under GHS by 148 ECHA notifiers. Aggregated from 148 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Identifiers
CAS number
2021-28-5SMILES
CCOC(=O)CCc1ccccc1InChIKey
JAGZUIGGHGTFHO-UHFFFAOYSA-NInChI
InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzenepropanoic acid, ethyl ester
- Hydrocinnamic acid, ethyl ester
- Ethyl hydrocinnamate
- Ethyl 3-phenylpropionate
- Ethyl dihydrocinnamate
- 3-Phenylpropanoic acid ethyl ester
- Ethyl benzenepropanoate
- 3-Phenylpropionic acid ethyl ester
- NSC 126040
Work with Ethyl 3-phenylpropanoate
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
Ethyl phenylacetate101-97-371 % similar
Ethyl 4-hydroxyhydrocinnamate23795-02-068 % similar
3-(4-Bromophenyl)propionic acid ethyl ester40640-98-068 % similar
N-(Phenylmethyl)-β-alanine ethyl ester23583-21-367 % similar
Benzyl ethyl malonate42998-51-665 % similar
3-(2-Bromo-phenyl)-propionic acid ethyl ester135613-33-164 % similar
Ethyl 3-phenoxypropionate22409-91-263 % similar
Ethyl alpha-oxobenzenebutanoate64920-29-263 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.