Benzyl propionate

C₁₀H₁₂O₂CAS 122-63-4164.20 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

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 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

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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