Propyl benzoate

C₁₀H₁₂O₂CAS 2315-68-6164.20 g/mol

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Properties

Molecular formula: C₁₀H₁₂O₂
Molar mass: 164.20 g/mol
Exact mass: 164.0837 Da
Density: 1.0361 g/mL (at 5 °C)
Melting point: −51.6 °C
Boiling point: 211 °C
logP: 2.25Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

2315-68-6

SMILES

CCCOC(=O)c1ccccc1

InChIKey

UDEWPOVQBGFNGE-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

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Names and synonyms

3 names

Benzoic acid, propyl ester
n-Propyl benzoate
NSC 229333

Work with Propyl benzoate

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

Butyl benzoate136-60-780 % similar Pentyl benzoate2049-96-977 % similar Hexyl benzoate6789-88-475 % similar Octyl benzoate94-50-875 % similar Dipropyl phthalate131-16-870 % similar Di-O-benzoyldiethylene glycol120-55-867 % similar Ethyl benzoate93-89-067 % similar Risocaine94-12-267 % 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 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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