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CAS No.: | 555-43-1 |
---|---|
Name: | Glycerol tristearate |
Article Data: | 41 |
Molecular Structure: | |
Formula: | C57H110O6 |
Molecular Weight: | 891.497 |
Synonyms: | Glyceryltrioctadecanoate;Glyceryl tristearate;Glycolube TS;Glycowax S 932;Loxiol EP 218;Rikemal VT;SSS;Spezialfett118;Stearic acid triglyceride;Stearic acid triglycerin ester;Stearoyl triglyceride;Triglyceride StStSt;Tristearin;Tristearoylglycerol;Stearin, tri- (8CI);DaiwaxSTG;Edenor NHTi;Glycerin tristearate;Glycerinetristearate; |
EINECS: | 209-097-6 |
Density: | 0.909 g/cm3 |
Melting Point: | 72-75 °C |
Boiling Point: | 813 °C at 760 mmHg |
Flash Point: | 299.4 °C |
Solubility: | insoluble in water |
Appearance: | off-white to cream powder |
Safety: | 24/25 |
PSA: | 78.90000 |
LogP: | 18.76910 |
Conditions | Yield |
---|---|
With Candida antarctica lipase (Lipase SP 435, NovozymeTM) at 70 - 75℃; under 0.05 - 0.1 Torr; for 48h; | 88% |
With toluene-4-sulfonic acid at 115℃; for 6h; | 88% |
With phosphate buffer; lipase from Humicola lanuginosa No. 3 In water at 45℃; for 18h; | 40.2% |
cis-Octadecenoic acid
1,3-distearoylglycerol
A
glycerol tristearate
B
glycerol 1,3-distearate 2-oleate
Conditions | Yield |
---|---|
With hydrogen at 200℃; unter vermindertem Druck; α.α'-distearate β oleate of glycerol; |
octadecanoic acid 2,3-dihydroxypropyl ester
glycerol tristearate
Conditions | Yield |
---|---|
under 0.5 Torr; beim Destillieren; | |
under 2 Torr; beim Destillieren mit Wasserdampf; |
Conditions | Yield |
---|---|
at 170 - 180℃; |
Conditions | Yield |
---|---|
at 275℃; |
Conditions | Yield |
---|---|
at 200 - 220℃; unter stark vermindertem Druck bei gleichzeitigem Durchleiten eines trocknen Luftstromes; |
Conditions | Yield |
---|---|
at 100℃; under 2 Torr; | |
With quinoline; chloroform | |
With pyridine; chloroform | |
With pyridine; Petroleum ether |
Methyl stearate
glycerol
A
glycerol tristearate
B
octadecanoic acid 2,3-dihydroxypropyl ester
C
DL-α,β-distearin
D
glycerol monostearate
E
1,3-distearoylglycerol
Conditions | Yield |
---|---|
With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine at 110℃; for 6h; Product distribution; other guanine-catalysts; var. reaction times; | |
In N,N-dimethyl-formamide at 165℃; for 5h; Reagent/catalyst; Solvent; Temperature; Concentration; |
1-oleoyloxy-2,3-bis-stearoyloxy-propane
glycerol tristearate
Conditions | Yield |
---|---|
Hydrogenation; glycerol-α.β distearate α'-oleate; |
Conditions | Yield |
---|---|
With decalin at 140℃; |
The IUPAC name of Glyceryl tristearate is 2,3-di(octadecanoyloxy)propyl octadecanoate. With the CAS registry number 555-43-1, it is also named as 1,2,3-Propanetriol trioctadecanoate. The other registry numbers are 160170-82-1, 41755-77-5 and 606967-51-5. It is off-white to cream powder which is soluble in hot alcohol, chloroform, benzene and carbon disulfide, insoluble in water, petroleum ether and ether. And it is a triglyceride, a glyceryl ester of stearic acid, derived from animal fats created as a byproduct of processing beef. Additionally, this chemical should stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 25.27; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 25.27; (4)ACD/LogD (pH 7.4): 25.27; (5)#H bond acceptors: 6; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 56 ; (8)Index of Refraction: 1.465; (9)Molar Refractivity: 271.4 cm3; (10)Molar Volume: 980.2 cm3; (11)Polarizability: 107.59×10-24 cm3; (12)Surface Tension: 34.2 dyne/cm; (13)Flash Point: 299.4 °C; (14)Enthalpy of Vaporization: 118.19 kJ/mol; (15)Boiling Point: 813 °C at 760 mmHg; (16)Vapour Pressure: 1.67E-26 mmHg at 25°C; (17)Rotatable Bond Count: 56; (18)Exact Mass: 890.830241; (19)MonoIsotopic Mass: 890.830241; (20)Topological Polar Surface Area: 78.9; (21)Heavy Atom Count: 63; (22)Complexity: 886.
Preparation of Glyceryl tristearate: It can be obtaind by the esterification reaction of glycerol and stearic acid.
CH2OHCHOHCH2OH+3C17H35COOH==CH2OOCC17H35CHOOCC17H35CH2OOCC17H35+3H2O
Uses of Glyceryl tristearate: It is mainly used in food, soap and stearic acid. The following is the reaction which is in the manufacture of soap. C3H5(C18H35O2)3 + 3 NaOH → C3H5(OH)3 + 3 C17H35COONa
In addition, this chemical is used in the organic synthesis. For example: it react with eicosa-5c,8c,11c,14c,17c-pentaenoic acid to get 1-eicosapentaenoyl-2,3-distearylglycerol. This reaction needs reagent Rhizomocur miehei lipase (LipozomeTM) at temperature of 75 °C and the pressure of 0.5-1.0. The reaction time is 20 hours. The yield is 44%.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
2. InChI:InChI=1/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3