Conditions | Yield |
---|---|
With tungsten(VI) oxide at 175℃; under 1 Torr; for 22h; Reagent/catalyst; | 93% |
With Twitchell's reagent at 100℃; analog dem Tricaprylin; | |
im Vakuum unter Durchleiten eines trocknen Luftstroms; | |
With dmap; dicyclohexyl-carbodiimide 1.) CH2Cl2, 2.) CH2Cl2; Multistep reaction; | |
at 240℃; under 150.015 - 760.014 Torr; for 3h; Temperature; Inert atmosphere; | 412 g |
n-decanoyl chloride
glycerol
A
capric acid triglyceride
B
pyridine hydrochloride
Conditions | Yield |
---|---|
Stage #1: n-decanoyl chloride; glycerol With pyridine In dichloromethane at 20 - 35℃; for 0.0833333 - 0.25h; Stage #2: With dmap at 20℃; | A 86% B n/a |
Conditions | Yield |
---|---|
With pyridine; chloroform |
1-decanoic acid
glycerol
A
capric acid triglyceride
B
3-decanoyloxy-propane-1,2-diol
C
1, 3-dicaprin
Conditions | Yield |
---|---|
In 2,2,4-trimethylpentane at 25℃; for 10h; Product distribution; liophilized lipase F-AP15 from Rhizopus javanicus, phosphate buffer pH=10; other lipases from various microbial origins, other temperature, solvents and var. pH; | |
With Lipozyme RM IM In n-heptane at 60℃; for 6h; Solvent; Time; Enzymatic reaction; |
decanoic acid ethyl ester
glycerol
A
capric acid triglyceride
B
3-decanoyloxy-propane-1,2-diol
C
2-decanoyloxy-propane-1,3-diol
D
1,2-didecanoyl glycerol
E
1, 3-dicaprin
Conditions | Yield |
---|---|
With triacylglycerol acyl hydrolase on EP100 (porous polypropylene) at 40℃; Product distribution; other donors; effect of water content; var. temp.; different molar ratios; |
1-decanoic acid
glycerol
A
capric acid triglyceride
B
3-decanoyloxy-propane-1,2-diol
C
1,2-didecanoyl glycerol
D
1, 3-dicaprin
Conditions | Yield |
---|---|
With lipozyme at 35℃; under 3 Torr; for 12h; Esterification; | A 6.62 % Chromat. B 6.15 % Chromat. C 0.83 % Chromat. D 84.37 % Chromat. |
methyl octanate
Methyl decanoate
glycerol
E
tricaprilin
F
capric acid triglyceride
Conditions | Yield |
---|---|
potassium methanolate at 60 - 200℃; for 0.916667h; Industry scale; Under nitrogen; |
1-decanoic acid
glycerol
A
(S)-1,2-O-didecanoyl-sn-glycerol
B
capric acid triglyceride
C
3-decanoyloxy-propane-1,2-diol
D
1, 3-dicaprin
E
(R)-2,3-O-didecanoyl-sn-glycerol
Conditions | Yield |
---|---|
With Rhizomucor miehei 1,3-specific lipase immobilized by adsorption on anion exchange phenolic resin Duolite A-568; silica gel In n-heptane at 50℃; for 6h; Concentration; Temperature; Enzymatic reaction; |
Conditions | Yield |
---|---|
With sodium tetrahydroborate In 1,4-dioxane; water at 70℃; for 4h; | A 93% B n/a |
Conditions | Yield |
---|---|
bis(trimethylsilyl)sulphate In dichloromethane; 1,2-dichloro-ethane for 8.5h; Heating; | A 89% B 82% |
Conditions | Yield |
---|---|
With ammonia at 220℃; for 40h; Autoclave; | 89% |
Conditions | Yield |
---|---|
With C30H42N2; potassium tert-butylate In tetrahydrofuran at 20℃; for 8h; Molecular sieve; | 84% |
Conditions | Yield |
---|---|
With 5 wt% Re/TiO2; hydrogen In neat (no solvent) at 230℃; under 37503.8 Torr; for 24h; Autoclave; | 80% |
tricaprilin
capric acid triglyceride
3,3'-dihydroxy-β,β-carotene-4,4'-dione
Conditions | Yield |
---|---|
immobilized lipase In hexane; water at 45℃; for 72h; Product distribution / selectivity; Enzymatic reaction; | A 9.5% B 1% C 9.1% D 1% |
immobilized lipase In water at 45℃; for 72h; Product distribution / selectivity; Enzymatic reaction; | A 7.2% B 1% C 6.1% D 1% |
lipase OF (from Candida) In water at 45℃; for 72h; Product distribution / selectivity; Enzymatic reaction; | A 3.9% B 1% C 3% D 1% |
capric acid triglyceride
1,2-didecanoyl glycerol
Conditions | Yield |
---|---|
for 2h; Ambient temperature; phosphate buffer pH 7.00; Rhizopus oryzae lipase; |
Conditions | Yield |
---|---|
With 1,3-specific lipase at 60℃; for 5h; |
capric acid triglyceride
A
2-decanoyloxy-propane-1,3-diol
B
(R)-2,3-O-didecanoyl-sn-glycerol
Conditions | Yield |
---|---|
With ethanol; immobilized Rhizomucor miehei lipase at 25℃; for 0.833333h; |
capric acid triglyceride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 2 h / Ambient temperature; phosphate buffer pH 7.00; Rhizopus oryzae lipase 2: dicyclohexylcarbodiimide, 4-dimethylpyridine / CH2Cl2 / Ambient temperature View Scheme |
capric acid triglyceride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 2 h / Ambient temperature; phosphate buffer pH 7.00; Rhizopus oryzae lipase 2: dicyclohexylcarbodiimide, 4-dimethylpyridine / CH2Cl2 / Ambient temperature View Scheme |
capric acid triglyceride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 2 h / Ambient temperature; phosphate buffer pH 7.00; Rhizopus oryzae lipase 2: dicyclohexylcarbodiimide, 4-dimethylpyridine / CH2Cl2 / Ambient temperature View Scheme |
Conditions | Yield |
---|---|
With acetic acid at 400℃; |
Conditions | Yield |
---|---|
With pancreatin lipase In aq. buffer at 37℃; for 3h; pH=6.5; Enzymatic reaction; |
capric acid triglyceride
ethyl ferulate
A
3-(4-hydroxy-3-methoxyphenyl)acrylic acid
Conditions | Yield |
---|---|
With Novozym 435 at 60℃; for 504h; Inert atmosphere; Enzymatic reaction; | A n/a B 14.35 %Chromat. C 44.4 %Chromat. D 1.36 %Chromat. E 5.98 %Chromat. F n/a |
Conditions | Yield |
---|---|
With ammonia at 180℃; for 5h; Autoclave; | 86 %Chromat. |
Conditions | Yield |
---|---|
With ammonium hydroxide; hydrogen at 220℃; under 41254.1 Torr; for 36h; Autoclave; | A 51 %Chromat. B 30 %Chromat. |
This chemical is called Decanoic acid, 1,2,3-propanetriyl ester, and its CAS registry number is 621-71-6. With the molecular formula of C33H62O6, its molecular weight is 554.85. The of this chemical is 621-71-6.
Other characteristics of the Decanoic acid, 1,2,3-propanetriyl ester can be summarised as followings: (1)ACD/LogP: 12.52; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.51; (4)ACD/LogD (pH 7.4): 12.51; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 32; (12)Polar Surface Area: 78.9 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 160.21 cm3; (15)Molar Volume: 584 cm3; (16)Polarizability: 63.51×10-24cm3; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 0.949 g/cm3; (19)Flash Point: 233.3 °C; (20)Enthalpy of Vaporization: 86.59 kJ/mol; (21)Boiling Point: 578.6 °C at 760 mmHg; (22)Vapour Pressure: 2.2E-13 mmHg at 25°C.
Uses of this chemical: The Decanoic acid, 1,2,3-propanetriyl ester could react with methanol, and obtain the decanoic acid methyl ester. This reaction needs the catalyst of bis(trimethylsilyl)sulfate (3), and the solvent of CH2Cl2, 1,2-dichloro-ethane.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. For it's flammable, keep it away from the sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC(OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC)CCCCCCCCC
2.InChI: InChI=1/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3
3.InChIKey: LADGBHLMCUINGV-UHFFFAOYAO
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | > 10gm/kg (10000mg/kg) | Acta Physiologica Scandinavica. Vol. 40, Pg. 338, 1957. Link to PubMed |
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