1.0
2010-04-08 22:08:32 UTC
2018-05-28 23:22:52 UTC
FDB009343
Dodecyl propionate
It is used as a food additive .
Lauryl propionate
N-dodecyl propanoate
Propanoic acid, dodecyl ester
Propionic acid, dodecyl ester
Propionic acid, dodecyl ester (8CI)
Propionic acid, laurinyl ester
C15H30O2
242.3975
242.224580204
dodecyl propanoate
dodecyl propanoate
6221-93-8
CCCCCCCCCCCCOC(=O)CC
InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h3-14H2,1-2H3
FVGJPCFYGPKBKJ-UHFFFAOYSA-N
belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
Fatty alcohol esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty alcohol esters
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty alcohol ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
logp
6.43
logs
-5.88
solubility
3.23e-04 g/l
logp
5.5
pka_strongest_basic
-7
iupac
dodecyl propanoate
average_mass
242.3975
mono_mass
242.224580204
smiles
CCCCCCCCCCCCOC(=O)CC
formula
C15H30O2
inchi
InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h3-14H2,1-2H3
inchikey
FVGJPCFYGPKBKJ-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
72.72
polarizability
32.31
rotatable_bond_count
13
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
14738
Specdb::CMs
169477
Specdb::MsMs
77946
Specdb::MsMs
77947
Specdb::MsMs
77948
Specdb::MsMs
138186
Specdb::MsMs
138187
Specdb::MsMs
138188
Specdb::MsMs
3049031
Specdb::MsMs
3049032
Specdb::MsMs
3049033
Specdb::MsMs
3118813
Specdb::MsMs
3118814
Specdb::MsMs
3118815
HMDB32250
#<Reference:0x0000555675d8ba00>
fruity