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
logs
-5.34
solubility
1.83e-03 g/l
melting_point
Mp 76° (72°)
logp
5.65
pka_strongest_basic
-6.4
iupac
2,3-bis(benzoyloxy)propyl benzoate
average_mass
404.412
mono_mass
404.125988372
smiles
O=C(OCC(COC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1)C1=CC=CC=C1
formula
C24H20O6
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
inchikey
HIZCTWCPHWUPFU-UHFFFAOYSA-N
polar_surface_area
78.9
refractivity
109.98
polarizability
42.44
rotatable_bond_count
11
acceptor_count
3
donor_count
0
physiological_charge
0
formal_charge
0
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:0x0000555675aa5e58>
balsamic
benzophenone
clean
green
plastic