1,2-Dioctanoylglycerol

Base Information

• Chemical Name: 1,2-Dioctanoylglycerol
• CAS No.: 1069-87-0
• Molecular Formula: C19H36 O5
• Molecular Weight: 344.492
• Hs Code.: 2915900090
• European Community (EC) Number: 252-992-1
• UNII: SA9937IP23
• DSSTox Substance ID: DTXSID00910175
• Nikkaji Number: J118.318D
• Wikidata: Q27289107
• NCI Thesaurus Code: C66186
• ChEMBL ID: CHEMBL24609
• Mol file: 1069-87-0.mol

Synonyms:1,2-dicapryloylglycerol;1,2-dioctanoyl-rac-glycerol;1,2-dioctanoyl-sn-glycerol;1,2-dioctanoylglycerol;1,2-dioctanoylglycerol, (S)-isomer;diC8;dicaprylglyceride;sn-1,2-dioctanoylglycerol

Chemical Property of 1,2-Dioctanoylglycerol

Chemical Property:

• Vapor Pressure: 3.65E-09mmHg at 25°C
• Boiling Point: 429.1°Cat760mmHg
• PKA: 13.70±0.10(Predicted)
• Flash Point: 136.8°C
• PSA: 72.83000
• Density: 0.992g/cm³
• LogP: 4.15470
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 18
• Exact Mass: 344.25627424
• Heavy Atom Count: 24
• Complexity: 317

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2-Dioctanoylglycerol

There total 13 articles about 1,2-Dioctanoylglycerol 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: 98.0%

1-O-benzyl-2,3-di-O-octanoyl-rac-glycerol (145827-12-9) → 1,2-dioctanoylglycerol (1069-87-0)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; for 19h; Ambient temperature;

DOI:10.1016/0008-6215(92)85036-Y

Reference yield:

Octanoic acid (124-07-2) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → tricaprilin (538-23-8) + monocaprylin (19670-49-6,502-54-5) + 1,3-dicaprylin (1429-66-9) + 1,2-dioctanoylglycerol (1069-87-0)

Guidance literature:

With lipozyme; at 25 ℃; for 8h; under 3 Torr; Further Variations:; Reaction partners; Temperatures; Enzyme kinetics; Product distribution;

DOI:10.1007/s11746-999-0074-7

Reference yield:

Octanoic acid (124-07-2) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → tricaprilin (538-23-8) + 1,3-dicaprylin (1429-66-9) + 1,2-dioctanoylglycerol (1069-87-0)

Guidance literature:

With sulphonated hydrothermal carbon; at 115 ℃; for 24h; chemoselective reaction; Catalytic behavior;

DOI:10.1039/c5cy00059a

upstream raw materials:

1-O-benzyl-2,3-di-O-octanoyl-rac-glycerol

2-Iodo-benzoic acid 2,3-bis-octanoyloxy-propyl ester

Octanoic acid 2-[(2,4-dinitro-phenyl)-methoxycarbonyl-methoxy]-1-octanoyloxymethyl-ethyl ester

Octanoic acid

Refernces

• 1、 Wandzik, Ilona,Bugla, Joanna,Szeja, Wieslaw. "Regio- and stereoselectivity in preparation of 2-deoxysugar glycoglycerolipid derivatives evaluated by high resolution 1H NMR". . p. 77 - 83. Retrieved 2006.
• 2、 De La Calle, Carlos,Fraile, José M.,García-Bordejé, Enrique,Pires, Elísabet,Roldán, Laura. "Biobased catalyst in biorefinery processes: Sulphonated hydrothermal carbon for glycerol esterification". . p. 2897 - 2903. Retrieved 2015/05/13.