Benzyl propionate

C10H12O2CAS 122-63-4164.20 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Density
1.034 g/mL (at 20 °C)
Boiling point
220 °C
logP
2.14Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 1,740 ECHA notifiers. Aggregated from 1,740 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
122-63-4
SMILES
CCC(=O)OCc1ccccc1
InChIKey
VHOMAPWVLKRQAZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

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Names and synonyms

5 names
  • Propanoic acid, phenylmethyl ester
  • Propionic acid, benzyl ester
  • Benzyl propanoate
  • Phenylmethyl propanoate
  • NSC 46100

Work with Benzyl 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

2-Phenethyl propionate122-70-371 % similar Dibenzyl succinate103-43-569 % similar Dibenzyl malonate15014-25-269 % similar Benzyl butyrate103-37-769 % similar Benzyl phenylacetate102-16-967 % similar Benzyl ethyl malonate42998-51-667 % similar Phenylmethyl 2-chloroacetate140-18-163 % similar Benzyl 2-hydroxyacetate30379-58-963 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 4-Methoxyphenylacetone122-84-9 2,5-Dimethylbenzeneacetic acid13612-34-5

Elsewhere

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