Glyceryl 2-caprate

Base Information

• Chemical Name: Glyceryl 2-caprate
• CAS No.: 3376-48-5
• Molecular Formula: C13H26 O4
• Molecular Weight: 246.347
• Hs Code.: 2915900090
• UNII: P9JHW7Y133
• DSSTox Substance ID: DTXSID50187431
• Nikkaji Number: J102.876F
• Wikidata: Q27145321
• Mol file: 3376-48-5.mol

Synonyms:Glyceryl 2-caprate;3376-48-5;Decanoin, 2-mono-;2-monocaprin;1,3-dihydroxypropan-2-yl decanoate;Decanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester;2-Decanoyl glycerol;2-O-Decanoylglycerol;UNII-P9JHW7Y133;Decanoic acid 2-monoglyceride;P9JHW7Y133;2-decanoylglycerol;2-caprinoylglycerol;glycerin monocaprate;2-monodecanoylglycerol;starbld0009154;SCHEMBL290487;2-decanoyloxy-propan-1,3-diol;CHEBI:75452;DTXSID50187431;AKOS040751927;2-Hydroxy-1-(hydroxymethyl)ethyl decanoate #;MG(0:0/10:0/0:0);MG (0:0/10:0/0:0);Q27145321

Chemical Property of Glyceryl 2-caprate

Chemical Property:

• Vapor Pressure: 2.3E-07mmHg at 25°C
• Refractive Index: 1.4280 (estimate)
• Boiling Point: 380.8°C at 760 mmHg
• PKA: 13.54±0.10(Predicted)
• Flash Point: 135°C
• PSA: 66.76000
• Density: 1.017g/cm³
• LogP: 2.02350
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 246.18310931
• Heavy Atom Count: 17
• Complexity: 178

Purity/Quality:

HPLC ≥ 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OC(CO)CO

Technology Process of Glyceryl 2-caprate

There total 2 articles about Glyceryl 2-caprate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

decanoic acid ethyl ester (110-38-3) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → capric acid triglyceride (621-71-6) + 3-decanoyloxy-propane-1,2-diol (2277-23-8) + 2-decanoyloxy-propane-1,3-diol (3376-48-5) + 1,2-didecanoyl glycerol (17863-69-3,82950-64-9) + 1, 3-dicaprin (17598-93-5)

Guidance literature:

With triacylglycerol acyl hydrolase on EP₁₀₀ (porous polypropylene); at 40 ℃; Product distribution; other donors; effect of water content; var. temp.; different molar ratios;

DOI:10.1007/BF02523515

Reference yield:

capric acid triglyceride (621-71-6) → 2-decanoyloxy-propane-1,3-diol (3376-48-5) + (R)-2,3-O-didecanoyl-sn-glycerol (172588-12-4,82950-64-9)

Guidance literature:

With ethanol; immobilized Rhizomucor miehei lipase; at 25 ℃; for 0.833333h;

DOI:10.1007/s11746-006-1245-4

Reference yield: 56.0%

2-decanoyloxy-propane-1,3-diol (3376-48-5) + n-decanoyl chloride (112-13-0) → 1,2-didecanoyl glycerol (17863-69-3,82950-64-9)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃;

upstream raw materials:

decanoic acid ethyl ester

glycerol

capric acid triglyceride

Downstream raw materials:

1,2-didecanoyl glycerol

Refernces

• 1、 Fureby,Adlercreutz,Mattiasson. "Glyceride synthesis in a solvent-free system". . p. 1489 - 1495. Retrieved 2007/10/03.