Phenyl benzoate
Properties
- Molecular formula
- C13H10O2
- Molar mass
- 198.22 g/mol
- Exact mass
- 198.0681 Da
- Density
- 1.28 g/mL
- Melting point
- 71 °C
- Boiling point
- 314 °C
- logP
- 2.91Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed92% of notifiers
- H315 Causes skin irritation85.4% of notifiers
- H317 May cause an allergic skin reaction64.2% of notifiers
Aggregated from 137 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P332+P317, P333+P317, P362+P364, P501
Identifiers
CAS number
93-99-2SMILES
O=C(Oc1ccccc1)c1ccccc1InChIKey
FCJSHPDYVMKCHI-UHFFFAOYSA-NInChI
InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Benzoic acid, phenyl ester
- Phenol, benzoate
- NSC 37086
- Phenyl ester benzoic acid
- Phenoxy phenyl ketone
Work with Phenyl 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
1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-491 % similar
Diphenyl isophthalate744-45-680 % similar
1,3-Phenylene dibenzoate94-01-980 % similar
Benzoic acid biphenyl-4-yl ester2170-13-077 % similar
Phenylparaben17696-62-771 % similar
p-Chlorophenyl benzoate2005-08-571 % similar
p-Hydroxyphenyl benzoate2444-19-171 % similar
Diphenyl phthalate84-62-868 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.