2-Phenethyl propionate
Properties
- Molecular formula
- C11H14O2
- Molar mass
- 178.23 g/mol
- Exact mass
- 178.0994 Da
- Density
- 1.0101 g/mL (at 20 °C)
- Melting point
- below 25 °C
- Boiling point
- 238 °C
- logP
- 2.18Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Identifiers
CAS number
122-70-3SMILES
CCC(=O)OCCc1ccccc1InChIKey
HVGZQCSMLUDISR-UHFFFAOYSA-NInChI
InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Propanoic acid, 2-phenylethyl ester
- Propionic acid, phenethyl ester
- Benzylcarbinyl propionate
- Phenethyl propionate
- Phenylethyl propionate
- Phenethyl alcohol propionate
- 2-Phenylethyl propionate
- 2-Phenylethyl propanoate
- β-Phenylethyl propionate
- Phenethyl propanoate
- NSC 404457
- EcoPCO ACU
Work with 2-Phenethyl propionate
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
Benzyl propionate122-63-471 % similar
2-Phenylethyl butanoate103-52-670 % similar
Phenylethyl phenylacetate102-20-568 % similar
Phenylethyl isovalerate140-26-165 % similar
Phenethyl acetate103-45-758 % similar
2-Phenylethyl isobutyrate103-48-054 % similar
Ethyl 3-phenylpropanoate2021-28-554 % similar
Butyl phenylacetate122-43-054 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds