1.0
2010-04-08 22:14:49 UTC
2015-07-21 06:42:50 UTC
FDB020144
DL-Propylene glycol dibenzoate
Flavouring ingredient
(±)-1,2-Propanediol dibenzoate
1,2-Propanediol dibenzoate
1,2-Propanediol, 1,2-dibenzoate
1,2-Propanediol, dibenzoate
DL-Propylene glycol dibenzoate
FEMA 3419
Propane-1,2-diyl dibenzoate
Propylene glycol dibenzoate
Propyleneglycol dibenzoate
RS-1,2-Propanediol dibenzoate
C17H16O4
284.3065
284.104859
2-(benzoyloxy)propyl benzoate
2-(benzoyloxy)propyl benzoate
19224-26-1
CC(COC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1
InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
UMVMVEZHMZTUHD-UHFFFAOYSA-N
Liquid
logp
3.56
logs
-4.52
solubility
8.55e-03 g/l
melting_point
Mp -3°
logp
4.2
pka_strongest_basic
-6.6
iupac
2-(benzoyloxy)propyl benzoate
average_mass
284.3065
mono_mass
284.104859
smiles
CC(COC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1
formula
C17H16O4
inchi
InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
inchikey
UMVMVEZHMZTUHD-UHFFFAOYSA-N
polar_surface_area
52.6
refractivity
78.62
polarizability
29.8
rotatable_bond_count
7
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
15446
Specdb::CMs
168486
Specdb::MsMs
98994
Specdb::MsMs
98995
Specdb::MsMs
98996
Specdb::MsMs
164058
Specdb::MsMs
164059
Specdb::MsMs
164060
Specdb::MsMs
2756272
Specdb::MsMs
2756273
Specdb::MsMs
2756274
Specdb::MsMs
2953491
Specdb::MsMs
2953492
Specdb::MsMs
2953493
HMDB40412
#<Reference:0x0000555674021f78>
algae
metallic
salmon
shellfish