Benzyl phenylacetate

C15H14O2CAS 102-16-9226.27 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C15H14O2
Molar mass
226.27 g/mol
Exact mass
226.0994 Da
Density
1.094–1.1 g/mL
Melting point
51–52 °C
Boiling point
175–176 °C (at 12 Torr)
Flash point
93.3 °C
Water solubility
< 1 g/L (20 °C)
logP
2.97Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS by 1,676 ECHA notifiers. Aggregated from 1,676 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
102-16-9
SMILES
O=C(Cc1ccccc1)OCc1ccccc1
InChIKey
MIYFJEKZLFWKLZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2

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Names and synonyms

5 names
  • Benzeneacetic acid, phenylmethyl ester
  • Acetic acid, phenyl-, benzyl ester
  • Benzyl α-toluate
  • Benzyl benzeneacetate
  • Benzyl 2-phenylacetate

Work with Benzyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dibenzyl succinate103-43-574 % similar Dibenzyl malonate15014-25-274 % similar Phenylethyl phenylacetate102-20-569 % similar Ethyl phenylacetate101-97-367 % similar Benzyl propionate122-63-467 % similar Phenylmethyl 2-chloroacetate140-18-167 % similar Benzyl 2-hydroxyacetate30379-58-967 % similar Benzyl bromoacetate5437-45-667 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl 4-benzyloxybenzaldehyde101093-56-5 p-Cresyl phenylacetate101-94-0 4'-Methoxy-2-phenylacetophenone1023-17-2 Methyl 4′-methylbiphenyl-2-carboxylate114772-34-8 3',4'-Dimethyl-biphenyl-4-carboxylic acid122294-09-1 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-0 1-(3-(Phenylmethoxy)phenyl)ethan-1-one34068-01-4 Methyl alpha-phenylbenzeneacetate3469-00-9

Elsewhere

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