chempirical

Benzyl benzoate

C14H12O2CAS 120-51-4212.25 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C14H12O2
Molar mass
212.25 g/mol
Exact mass
212.0837 Da
Density
1.118 g/mL (at 25 °C)
Melting point
21 °C
Boiling point
323–324 °C
logP
3.04Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
120-51-4
SMILES
O=C(OCc1ccccc1)c1ccccc1
InChIKey
SESFRYSPDFLNCH-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

Weigh it out

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

Names and synonyms

24 names · show all
  • Benzoic acid, phenylmethyl ester
  • Benzoic acid, benzyl ester
  • Ascabin
  • Ascabiol
  • Benylate
  • Benzyl benzenecarboxylate
  • Benzylets
  • Benzyl phenylformate
  • Colebenz
  • Novoscabin
  • Peruscabin
  • Venzonate
  • Vanzoate
  • Scobenol
  • Scabagen
  • Scabanca
  • Scabide
  • Scabiozon
  • Phenylmethyl benzoate
  • Nicca sunsolt LM 7EX
  • Pelemol B66
  • NSC 8081
  • Scabcare BB
  • Benzyloxy phenyl ketone

Work with Benzyl 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

Benzyl 4-hydroxybenzoate94-18-874 % similar Benzyl phthalate523-31-971 % similar Benzyl nicotinate94-44-070 % similar Phenylethyl benzoate94-47-369 % similar 1-(Phenylmethyl) 3-boronobenzoate380430-52-462 % similar Bis(phenylmethyl) carbonate3459-92-561 % similar Dibenzyl oxalate7579-36-461 % similar Di-O-benzoyldiethylene glycol120-55-860 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Diphenylacetic acid117-34-0 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-7 Benzoin (organic compound)119-53-9 3-(2-Methoxyphenyl)benzaldehyde122801-57-4 3-(3-Methoxyphenyl)benzaldehyde126485-58-3 2-Hydroxy-5-methylbenzophenone1470-57-1 p-Phenylphenyl acetate148-86-7 3-Benzyloxybenzaldehyde1700-37-4

Elsewhere

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