1,1',1''-[1,2,3-Propanetriyltris(oxy)]trisoctadecane

Base Information

• Chemical Name: 1,1',1''-[1,2,3-Propanetriyltris(oxy)]trisoctadecane
• CAS No.: 6076-42-2
• Molecular Formula: C57H116O3
• Molecular Weight: 849.53
• Hs Code.: 2909199090
• European Community (EC) Number: 612-018-1
• DSSTox Substance ID: DTXSID2064105
• Nikkaji Number: J421.791H
• Wikidata: Q81991248
• Mol file: 6076-42-2.mol

Synonyms:1,2,3-O-Trioctadecylglycerin;1-{[1,3-bis(octadecyloxy)propan-2-yl]oxy}octadecane;1,2,3-tris-octadecyloxy-propane;glycerol tristearate ester;Glycerine tristearyl ether;tristearyl glycerol;Octadecane,1,1',1''-(1,2,3-propanetriyltris(oxy))tris;stearic acid triglyceride;

Chemical Property of 1,1',1''-[1,2,3-Propanetriyltris(oxy)]trisoctadecane

Chemical Property:

• Vapor Pressure: 8.64E-25mmHg at 25°C
• Boiling Point: 802.7°C at 760 mmHg
• Flash Point: 338.2°C
• PSA: 27.69000
• Density: 0.859g/cm³
• LogP: 20.18930
• XLogP3: 26.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 56
• Exact Mass: 848.89244756
• Heavy Atom Count: 60
• Complexity: 671

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC

Technology Process of 1,1',1''-[1,2,3-Propanetriyltris(oxy)]trisoctadecane

There total 3 articles about 1,1',1''-[1,2,3-Propanetriyltris(oxy)]trisoctadecane 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: 51.0%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + 1-Bromooctadecane (112-89-0) → 1,2,3-tri(octadecyloxy)propane (6076-42-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 16h; Inert atmosphere;

Reference yield:

batyl alcohol (544-62-7) + 1-octadecyl methanesulfonate (31081-59-1) → 1,2,3-tri(octadecyloxy)propane (6076-42-2)

Guidance literature:

With potassium hydroxide; In xylene; Heating;

DOI:10.1021/jo01340a034

Reference yield:

→ 1,2,3-tri(octadecyloxy)propane (6076-42-2)

Guidance literature:

Tristearin, LiAlH4/BF3-Etherat;

upstream raw materials:

batyl alcohol

1-octadecyl methanesulfonate

glycerol

1-Bromooctadecane

Refernces