Benzyl acetate
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Density
- 1.05 g/mL (at 25 °C)
- Melting point
- −51 °C
- Boiling point
- 213 °C
- Flash point
- 90 °C (closed cup)
- Water solubility
- miscible
- logP
- 1.75Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
- H412 Harmful to aquatic life with long lasting effects62.6% of notifiers
Aggregated from 2,397 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P273, P501
Identifiers
CAS number
140-11-4SMILES
CC(=O)OCc1ccccc1InChIKey
QUKGYYKBILRGFE-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Acetic acid, phenylmethyl ester
- Acetic acid, benzyl ester
- Benzyl alcohol, acetate
- Benzyl ethanoate
- α-Acetoxytoluene
- (Acetoxymethyl)benzene
- Phenylmethyl acetate
- NSC 4550
- Jeffsol AG 1705
Work with Benzyl 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
Phenethyl acetate103-45-769 % similar
3-Phenylpropyl acetate122-72-567 % similar
p-Methylbenzyl acetate2216-45-767 % similar
Anisyl acetate104-21-263 % similar
Bis(phenylmethyl) carbonate3459-92-561 % similar
Dibenzyl oxalate7579-36-461 % similar
Furfural acetate623-17-658 % similar
Dibenzyl succinate103-43-557 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds