Glyceryl 2-caprylate

Base Information

• Chemical Name: Glyceryl 2-caprylate
• CAS No.: 4228-48-2
• Molecular Formula: C11H22O4
• Molecular Weight: 218.293
• UNII: O8TCW8DUW8
• DSSTox Substance ID: DTXSID20195104
• Nikkaji Number: J118.317F
• Wikidata: Q27285489
• Mol file: 4228-48-2.mol

Synonyms:Glyceryl 2-caprylate;beta-Monocaprylin;4228-48-2;Octanoin, 2-mono-;1,3-dihydroxypropan-2-yl Octanoate;Octanoic acid 2-monoglyceride;Octanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester;UNII-O8TCW8DUW8;O8TCW8DUW8;2-monocapryloylglycerol;.BETA.-MONOCAPRYLIN;SCHEMBL239865;DTXSID20195104;Q27285489

Chemical Property of Glyceryl 2-caprylate

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 218.15180918
• Heavy Atom Count: 15
• Complexity: 155

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Glyceryl 2-caprylate

There total 3 articles about Glyceryl 2-caprylate 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:

1,3-benzylidene-2-octanoylglycerol (109587-92-0) → monocaprylin (19670-49-6,502-54-5) + glycerin monocaprylate (4228-48-2)

Guidance literature:

With Trimethyl borate; boric acid; at 100 ℃; for 0.583333h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

Octanoic acid (124-07-2) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → monocaprylin (19670-49-6,502-54-5) + glycerin monocaprylate (4228-48-2) + 1,3-dicaprylin (1429-66-9) + 1,2-dioctanoylglycerol (1069-87-0)

Guidance literature:

With sulphonated hydrothermal carbon; at 115 ℃; for 1h; chemoselective reaction; Catalytic behavior;

DOI:10.1039/c5cy00059a

Reference yield:

tricaprilin (538-23-8) → glycerin monocaprylate (4228-48-2) + sn-2,3-dioctanoylglycerol (113973-38-9)

Guidance literature:

With ethanol; immobilized Rhizomucor miehei lipase; at 25 ℃; for 0.333333h;

DOI:10.1007/s11746-006-1245-4

upstream raw materials:

1,3-benzylidene-2-octanoylglycerol

tricaprilin

Octanoic acid

glycerol

Downstream raw materials:

peroxyoctanoic acid

monocaprylin

Refernces

• 1、 Piyatheerawong, Weera,Yamane, Tsuneo,Nakano, Hideo,Iwasaki, Yugo. "Enzymatic preparation of enantiomerically pure sn-2,3-diacylglycerols: A stereoselective ethanolysis approach". . p. 603 - 607. Retrieved 2007/10/03.