1.0
2011-03-30 21:42:20 UTC
2015-07-21 06:56:00 UTC
FDB021774
Dipropyl hexanedioate
Food additive [Goodscents]
Dipropyl adipate
Dipropyl ester
Dipropyl hexanedioate
Hexanedioic acid, 9CI; Dipropyl ester
C12H22O4
230.304
230.151809188
1,6-dipropyl hexanedioate
1,6-dipropyl hexanedioate
106-19-4
CCCOC(=O)CCCCC(=O)OCCC
InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
NKOUWLLFHNBUDW-UHFFFAOYSA-N
belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
Fatty acid esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acid esters
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acid esters
Dicarboxylic acids and derivatives
Hydrocarbon derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Dicarboxylic acid or derivatives
Fatty acid ester
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
2.93
logs
-2.76
solubility
4.04e-01 g/l
melting_point
Mp -20°
logp
2.54
pka_strongest_basic
-6.7
iupac
1,6-dipropyl hexanedioate
average_mass
230.304
mono_mass
230.151809188
smiles
CCCOC(=O)CCCCC(=O)OCCC
formula
C12H22O4
inchi
InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
inchikey
NKOUWLLFHNBUDW-UHFFFAOYSA-N
polar_surface_area
52.6
refractivity
60.82
polarizability
26.72
rotatable_bond_count
11
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
21266
Specdb::CMs
27497
Specdb::CMs
28735
Specdb::CMs
28773
Specdb::CMs
28980
Specdb::CMs
29378
Specdb::CMs
102247
Specdb::CMs
102248
Specdb::CMs
102249
Specdb::CMs
102250
Specdb::CMs
102251
Specdb::CMs
168839
Specdb::MsMs
72963
Specdb::MsMs
72964
Specdb::MsMs
72965
Specdb::MsMs
132021
Specdb::MsMs
132022
Specdb::MsMs
132023
Specdb::MsMs
2310962
Specdb::MsMs
2310963
Specdb::MsMs
2310964
Specdb::MsMs
2651651
Specdb::MsMs
2651652
Specdb::MsMs
2651653
HMDB41614
#<Reference:0x00005556762964a0>
alcoholic
mild