1 3-DISTEAROYL-2-OLEOYLGLYCEROL

Base Information

• Chemical Name: 1 3-DISTEAROYL-2-OLEOYLGLYCEROL
• CAS No.: 2846-04-0
• Molecular Formula: C57H108 O6
• Molecular Weight: 889.481
• European Community (EC) Number: 220-643-2
• UNII: 4KE1Y9738S
• DSSTox Substance ID: DTXSID301304181
• Nikkaji Number: J306.772F
• Wikidata: Q27259880
• Mol file: 2846-04-0.mol

Synonyms:9-Octadecenoicacid (Z)-, 2-[(1-oxooctadecyl)oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester;Olein, 1,3-distearo-2- (8CI); Stearin, 2-oleo-1,3-di- (6CI,7CI);1,3-Di-O-stearoyl-2-O-oleoylglycerol; 1,3-Distearo-2-olein;1,3-Distearoyl-2-olein; 1,3-Distearoyl-2-oleoylglycerol;1,3-Distearyl-2-oleylglycerol; 2-Oleo-1,3-distearin; 2-Oleoyl-1,3-distearin;2-Oleoyl-1,3-distearoylglycerol; Chocoseed; Glyceryl 2-oleoyl-1,3-distearate;SOS; Triglyceride StOSt,sn

Chemical Property of 1 3-DISTEAROYL-2-OLEOYLGLYCEROL

Chemical Property:

• Vapor Pressure: 1.73E-27mmHg at 25°C
• Boiling Point: 827°Cat760mmHg
• Flash Point: 305°C
• PSA: 78.90000
• Density: 0.912g/cm³
• LogP: 18.54510
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 24.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 55
• Exact Mass: 888.81459116
• Heavy Atom Count: 63
• Complexity: 928

Purity/Quality:

99% ^*data from raw suppliers

1,3-Distearoyl-2-oleoyl Glycerol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
• Uses: 1,3-Distearoyl-2-oleoyl Glycerol is a triacid triglyceride found in cocoa butter and is used in the improvement of chocolate.

Technology Process of 1 3-DISTEAROYL-2-OLEOYLGLYCEROL

There total 16 articles about 1 3-DISTEAROYL-2-OLEOYLGLYCEROL 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: 93.0%

(Z)-Octadec-9-enoic acid 2-bromo-1-bromomethyl-ethyl ester + tris(decyl)methylammonium stearate (88879-60-1) → glycerol 1,3-distearate 2-oleate (2846-04-0,93396-74-8)

Guidance literature:

In toluene; for 4h; Heating;

DOI:10.1039/P29830001553

Reference yield:

cis-Octadecenoic acid (112-80-1,2027-47-6) + 1,3-distearoylglycerol (504-40-5) → glycerol tristearate (555-43-1) + glycerol 1,3-distearate 2-oleate (2846-04-0,93396-74-8)

Guidance literature:

With hydrogen; at 200 ℃; α.α'-distearate β oleate of glycerol; unter vermindertem Druck;

Reference yield:

trioleoylglycerol (122-32-7) → 1,3-distearoyl-2-oleoylglycerol (2846-04-0) + C96H180O12 + C135H250O18 + (E)-17-(1,3-bis((E)-octadec-9-enoyloxy)propan-2-yl) 1-((Z)-6,23-dioxo-1,5-dioxacyclotricos-14-en-3-yl) heptadec-8-enedioate + (Z)-3-hydroxy-1,5-dioxacyclotricos-14-ene-6,23-dione + (E)-((Z)-6,23-dioxo-1,5-dioxacyclotricos-14-en-3-yl)octadec-9-enoate + (E)-bis((Z)-6,23-dioxo-1,5-dioxacyclotricos-14-en-3-yl)octadec-9-enedioate

Guidance literature:

With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; at 45 ℃; for 16h; Inert atmosphere;

upstream raw materials:

cis-Octadecenoic acid

1,3-distearoylglycerol

Elaidic Acid

stearic acid

Refernces

• 1、 Adlof, Richard O.,List, Gary R.. "Synthesis and analysis of symmetrical and nonsymmetrical disaturated/monounsaturated triacylglycerols". . p. 2096 - 2099. Retrieved 2007/10/03.
• 2、 Bhati, Asharam,Hamilton, Richard J.,Steven, David A.,Aneja, Rajender,Padley, Frederick B.. "Synthesis of Triglycerides from 1,3-Dibromopropan-2-ol". . p. 1553 - 1558. Retrieved 2007/10/02.