1.0
2010-04-08 22:05:39 UTC
2018-05-28 23:10:46 UTC
FDB003078
Glycerol 1-octadecanoate
Coating agent, emulsifier, lubricant, texturiser in food processing. It is used in grain products and pastas.
(1)-2,3-Dihydroxypropyl stearate
1-Glyceryl stearate
1-Monooctadecanoyl-rac-glycerol
1-Monostearin
1-Monostearoylglycerol
1-O-Octadecanoylglycerol
1-O-Stearoylglycerol
1-Stearoyl-rac-glycerol
1,2,3-Propanetriol 1-octadecanoyl ester
1,2,3-Propanetriol monooctadecanoate
1,2,3-Propanetriol, homopolymer, isooctadecanoate
2,3-Dihydroxypropyl stearate
3-Stearoyloxy-1,2-propanediol
a-Monostearin
Alpha-monostearin
Cefatin
Dermagine
E471?
FEMA 2527
Glycerin 1-monostearate
Glycerin 1-stearate
Glycerol α-monostearate
Glycerol α-sterate
Glycerol 1-monostearate
Glycerol 1-stearate
Glycerol alpha-monostearate
Glyceryl 1-monostearate
Glyceryl-1-monostearate
Octadecanoic acid 2,3-dihydroxypropyl ester
Octadecanoic acid, 2,3-dihydroxypropyl ester
Octadecanoic acid, ester with 1,2,3-propanetriol
Stearic acid α-monoglyceride
Stearic acid 1-monoglyceride
Stearic acid alpha-monoglyceride
Stearin, 1-mono-
C21H42O4
358.5558
358.308309832
2,3-dihydroxypropyl octadecanoate
glyceryl stearate
123-94-4
CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
VBICKXHEKHSIBG-UHFFFAOYSA-N
belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position.
1-monoacylglycerols
Organic compounds
Lipids and lipid-like molecules
Glycerolipids
Monoradylglycerols
Aliphatic acyclic compounds
1,2-diols
Carbonyl compounds
Carboxylic acid esters
Fatty acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Primary alcohols
Secondary alcohols
1,2-diol
1-acyl-sn-glycerol
Alcohol
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Fatty acyl
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Primary alcohol
Secondary alcohol
1-monoglyceride
Monoacylglycerols
monoacylglycerol 18:0
logp
6.73
logs
-5.52
solubility
1.08e-03 g/l
melting_point
Mp 77-79° (± -form)
logp
5.97
pka_strongest_acidic
13.62
pka_strongest_basic
-3
iupac
2,3-dihydroxypropyl octadecanoate
average_mass
358.5558
mono_mass
358.308309832
smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
formula
C21H42O4
inchi
InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
inchikey
VBICKXHEKHSIBG-UHFFFAOYSA-N
polar_surface_area
66.76
refractivity
103.31
polarizability
46.63
rotatable_bond_count
20
acceptor_count
3
donor_count
2
physiological_charge
0
formal_charge
0
Specdb::CMs
28061
Specdb::CMs
32365
Specdb::CMs
42345
Specdb::MsMs
597367
Specdb::MsMs
597368
Specdb::MsMs
597369
Specdb::NmrOneD
246768
Specdb::NmrOneD
246769
Specdb::NmrOneD
246770
Specdb::NmrOneD
246771
Specdb::NmrOneD
246772
Specdb::NmrOneD
246773
Specdb::NmrOneD
246774
Specdb::NmrOneD
246775
Specdb::NmrOneD
246776
Specdb::NmrOneD
246777
Specdb::NmrOneD
246778
Specdb::NmrOneD
246779
Specdb::NmrOneD
246780
Specdb::NmrOneD
246781
Specdb::NmrOneD
246782
Specdb::NmrOneD
246783
Specdb::NmrOneD
246784
Specdb::NmrOneD
246785
Specdb::NmrOneD
246786
Specdb::NmrOneD
246787
fatty
mild
waxy