1.0
2010-04-08 22:10:10 UTC
2019-11-26 03:06:47 UTC
FDB012441
Ethyl stearate
Flavouring ingredient. Ethyl stearate is found in coriander and sweet marjoram.
Dicyclohexylammonium sulfate
Dicyclohexylammonium sulphate
Ethyl n-octadecanoate
Ethyl ocatadecanoate
Ethyl octadecanoate
Ethyl octadecanoate (ethyl stearate)
Ethyl stearate
Ethyloctadecanoate
FEMA 3490
Octadecanoic acid, ethyl ester
Stearic acid ethyl ester
Stearic acid, ethyl ester
C20H40O2
312.5304
312.302830524
ethyl octadecanoate
ethyl stearate
111-61-5
CCCCCCCCCCCCCCCCCC(=O)OCC
InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
MVLVMROFTAUDAG-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
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
long-chain fatty acid ethyl ester
logp
8.73
logs
-7.04
solubility
2.87e-05 g/l
melting_point
Mp 33.4° (30.9°)
logp
7.65
pka_strongest_basic
-7
iupac
ethyl octadecanoate
average_mass
312.5304
mono_mass
312.302830524
smiles
CCCCCCCCCCCCCCCCCC(=O)OCC
formula
C20H40O2
inchi
InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
inchikey
MVLVMROFTAUDAG-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
95.8
polarizability
42.79
rotatable_bond_count
18
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
3113
Specdb::CMs
27657
Specdb::CMs
101528
Specdb::CMs
134811
Specdb::CMs
142545
Specdb::NmrOneD
4440
Specdb::NmrOneD
4558
Specdb::MsMs
85341
Specdb::MsMs
85342
Specdb::MsMs
85343
Specdb::MsMs
147426
Specdb::MsMs
147427
Specdb::MsMs
147428
Specdb::MsMs
2475335
Specdb::MsMs
2475336
Specdb::MsMs
2475337
Specdb::MsMs
2491061
Specdb::MsMs
2491062
Specdb::MsMs
2491063
HMDB34156
#<Reference:0x0000555676114410>
Coriander
Type 1
specific
Coriandrum sativum
4047
29.4
29.4
29.4
mg/100 g
Sweet marjoram
Type 1
specific
Origanum majorana
268884
mild
waxy