1.0 2010-04-08 22:04:41 UTC 2015-07-20 21:33:25 UTC FDB000707 Glycerol tribenzoate Flavouring ingredient 1,2,3-Propanetriol, 1,2,3-tribenzoate 1,2,3-Propanetriol, tribenzoate FEMA 3398 Glycerol tribenzoate Glycerol, tribenzoate Glyceryl tribenzoate Mollit b Plastic a Tribenzoin Uniplex 260 C24H20O6 404.412 404.125988372 2,3-bis(benzoyloxy)propyl benzoate 2,3-bis(benzoyloxy)propyl benzoate 614-33-5 O=C(OCC(COC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)C1=CC=CC=C1 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 HIZCTWCPHWUPFU-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Benzoyl derivatives Carboxylic acid esters Glycerolipids Hydrocarbon derivatives Organic oxides Organooxygen compounds Tricarboxylic acids and derivatives Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Glycerolipid Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Tricarboxylic acid or derivatives Solid logp 4.11 ALOGPS logs -5.34 ALOGPS solubility 1.83e-03 g/l ALOGPS melting_point Mp 76° (72°) logp 5.65 ChemAxon pka_strongest_basic -6.4 ChemAxon iupac 2,3-bis(benzoyloxy)propyl benzoate ChemAxon average_mass 404.412 ChemAxon mono_mass 404.125988372 ChemAxon smiles O=C(OCC(COC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)C1=CC=CC=C1 ChemAxon formula C24H20O6 ChemAxon 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 ChemAxon inchikey HIZCTWCPHWUPFU-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 109.98 ChemAxon polarizability 42.44 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23652 Specdb::CMs 163817 Specdb::MsMs 45840 Specdb::MsMs 45841 Specdb::MsMs 45842 Specdb::MsMs 155472 Specdb::MsMs 155473 Specdb::MsMs 155474 Specdb::MsMs 2664910 Specdb::MsMs 2664911 Specdb::MsMs 2664912 Specdb::MsMs 3016509 Specdb::MsMs 3016510 Specdb::MsMs 3016511 HMDB29556 #<Reference:0x000055ce3189ffa8> balsamic benzophenone clean green plastic