1.0
2010-04-08 22:14:50 UTC
2015-07-21 06:43:10 UTC
FDB020162
Diethyl decanedioate
Flavouring ingredient
Bisoflex des
Decanedioic acid, 1,10-diethyl ester
Decanedioic acid, diethyl ester
Decanedioic acid,diethyl ester
Diethyl 1,10-decanedioate
Diethyl 1,8-octanedicarboxylate
Diethyl decanedioate
Diethyl sebacate
Diethyl sebecate
Ethyl sebacate
Ethyl sebacate (van)
FEMA 2376
Sebacic acid diethyl ester
Sebacic acid, diethyl ester
C14H26O4
258.3538
258.18310932
1,10-diethyl decanedioate
diethyl sebacate
110-40-7
CCOC(=O)CCCCCCCCC(=O)OCC
InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3
ONKUXPIBXRRIDU-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
Liquid
logp
4.22
logs
-3.94
solubility
2.94e-02 g/l
melting_point
Mp 5°
logp
3.27
pka_strongest_basic
-6.7
iupac
1,10-diethyl decanedioate
average_mass
258.3538
mono_mass
258.18310932
smiles
CCOC(=O)CCCCCCCCC(=O)OCC
formula
C14H26O4
inchi
InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3
inchikey
ONKUXPIBXRRIDU-UHFFFAOYSA-N
polar_surface_area
52.6
refractivity
70.18
polarizability
31.02
rotatable_bond_count
13
acceptor_count
2
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
22464
Specdb::CMs
27483
Specdb::CMs
102133
Specdb::CMs
132090
Specdb::CMs
139824
Specdb::MsMs
55542
Specdb::MsMs
55543
Specdb::MsMs
55544
Specdb::MsMs
110718
Specdb::MsMs
110719
Specdb::MsMs
110720
Specdb::MsMs
2335453
Specdb::MsMs
2335454
Specdb::MsMs
2335455
Specdb::MsMs
2627270
Specdb::MsMs
2627271
Specdb::MsMs
2627272
HMDB40429
#<Reference:0x0000555675689018>
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