Phenethyl acetate
Properties
- Molecular formula
- C10H12O2
- Molar mass
- 164.20 g/mol
- Exact mass
- 164.0837 Da
- Density
- 1.0765 g/mL (at 20 °C)
- Melting point
- −31.1 °C
- Boiling point
- 232.6 °C
- logP
- 1.79Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H318 Causes serious eye damage79.9% of notifiers
- H319 Causes serious eye irritation18.6% of notifiers
Aggregated from 1,937 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, P337+P317
Identifiers
CAS number
103-45-7SMILES
CC(=O)OCCc1ccccc1InChIKey
MDHYEMXUFSJLGV-UHFFFAOYSA-NInChI
InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Acetic acid, 2-phenylethyl ester
- Acetic acid, phenethyl ester
- Phenethyl alcohol, acetate
- Benzylcarbinyl acetate
- β-Phenylethyl acetate
- β-Phenethyl acetate
- 2-Phenylethyl acetate
- 2-Phenethyl acetate
- Phenylethyl ethanoate
- β-Phenylethanol acetate
- NSC 71927
- 2-Phenylethanol acetate
- Benzeneethanol acetate
Work with Phenethyl acetate
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-Phenylpropyl acetate122-72-582 % similar
Benzyl acetate140-11-469 % similar
Ethylene glycol phenyl ether acetate6192-44-563 % similar
Diacetyl-N-phenyldiethanolamine19249-34-459 % similar
Hydroxytyrosol acetate69039-02-758 % similar
2-Phenylethyl isobutyrate103-48-058 % similar
2-Phenethyl propionate122-70-358 % similar
Phenylethyl phenylacetate102-20-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.