Glyceryl tribenzoate

C24H20O6CAS 614-33-5404.42 g/mol

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Ester

Properties

Molecular formula
C24H20O6
Molar mass
404.42 g/mol
Exact mass
404.1260 Da
Melting point
76 °C
logP
3.93Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from 14 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
614-33-5
SMILES
O=C(OCC(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1
InChIKey
HIZCTWCPHWUPFU-UHFFFAOYSA-N
InChI
InChI=1S/C24H20O6/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19/h1-15,21H,16-17H2

Weigh it out

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

Names and synonyms

7 names
  • 1,2,3-Propanetriol, 1,2,3-tribenzoate
  • Glycerol, tribenzoate
  • 1,2,3-Propanetriol, tribenzoate
  • Tribenzoin
  • Benzoflex S 404
  • Uniplex 260
  • NSC 2230

Work with Glyceryl tribenzoate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isobutyl benzoate120-50-364 % similar Phenylethyl benzoate94-47-358 % similar Alpha-D-glucopyranose pentabenzoate22415-91-457 % similar Penta-O-benzoyl-alpha-D-mannopyranose41569-33-957 % similar 1,2,3,4,6-Penta-O-benzoyl-D-mannopyranose96996-90-657 % similar Propyl benzoate2315-68-656 % similar Benzyl benzoate120-51-455 % similar Di-O-benzoyldiethylene glycol120-55-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook