chempirical

Benzyl salicylate

C14H12O3CAS 118-58-1228.25 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C14H12O3
Molar mass
228.25 g/mol
Exact mass
228.0786 Da
Density
1.1751 g/mL (at 25 °C)
Melting point
130.5 °C
Boiling point
320 °C
Water solubility
8.8 mg/L (20 °C)
logP
2.75Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
118-58-1
SMILES
O=C(OCc1ccccc1)c1ccccc1O
InChIKey
ZCTQGTTXIYCGGC-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 2-hydroxy-, phenylmethyl ester
  • Salicylic acid, benzyl ester
  • Benzyl o-hydroxybenzoate
  • Benzyl 2-hydroxybenzoate
  • NSC 6647

Work with Benzyl salicylate

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

Phenethyl salicylate87-22-974 % similar Benzyl phthalate523-31-974 % similar Monobenzyl phthalate2528-16-765 % similar Ethyl salicylate118-61-664 % similar Benzyl anthranilate82185-41-962 % similar Glycol salicylate87-28-562 % similar Propyl salicylate607-90-961 % similar Isobutyl salicylate87-19-459 % similar

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

Same formula

Oxybenzone131-57-7 2-(4-Phenylphenoxy)acetic acid13333-86-3 2-(Benzyloxy)benzoic acid14389-86-7 4-(Benzyloxy)benzoic acid1486-51-7 Desmethoxyyangonin15345-89-8 3'-Methoxy-biphenyl-3-carboxylic acid168618-45-9 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1 2-Phenoxyphenylacetic acid25563-02-4

Elsewhere

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