Glycerol triisobutyrate

Base Information

• Chemical Name: Glycerol triisobutyrate
• CAS No.: 14295-64-8
• Molecular Formula: C15H26 O6
• Molecular Weight: 302.368
• European Community (EC) Number: 238-224-8
• DSSTox Substance ID: DTXSID90931697
• Nikkaji Number: J216.947I
• Wikidata: Q82907283
• Mol file: 14295-64-8.mol

Synonyms:Glycerol triisobutyrate;14295-64-8;propane-1,2,3-triyl tris(2-methylpropanoate);2,3-bis(2-methylpropanoyloxy)propyl 2-methylpropanoate;EINECS 238-224-8;Triisobutyrin;SCHEMBL2402152;glycerol tri(2 methylpropanoate);DTXSID90931697;propane-1,2,3-triyltris(2-methylpropanoate);Propanoic acid, 2-methyl-, 1,2,3-propanetriyl ester

Chemical Property of Glycerol triisobutyrate

Chemical Property:

• Vapor Pressure: 0.000199mmHg at 25°C
• Boiling Point: 327.7°Cat760mmHg
• Flash Point: 136.6°C
• PSA: 78.90000
• Density: 1.049g/cm³
• LogP: 1.95260
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 302.17293854
• Heavy Atom Count: 21
• Complexity: 335

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(=O)OCC(COC(=O)C(C)C)OC(=O)C(C)C
• Uses: Triisobutyrin is used in the preparation of low-molecular weight glycerol triesters as plasticizers for poly(vinyl chloride).

Technology Process of Glycerol triisobutyrate

There total 3 articles about Glycerol triisobutyrate 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: 99.0%

2-Methylpropionic anhydride (97-72-3) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → glycerol tri(2-methylpropanoate) (14295-64-8)

Guidance literature:

dmap; at 20 ℃; for 5h;

DOI:10.1021/ja075824w

Reference yield: 67.0%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) + isobutyric Acid (79-31-2) → glycerol tri(2-methylpropanoate) (14295-64-8)

Guidance literature:

[Mes₂NH₂](+)[O₃SC₆F₅](-); In n-heptane; at 80 ℃; for 24h;

DOI:10.1021/ja075824w

Reference yield:

1,2,3-tribromopropane (96-11-7) + isobutyric acid sodium salt (996-30-5) → glycerol tri(2-methylpropanoate) (14295-64-8)

Guidance literature:

upstream raw materials:

1,2,3-tribromopropane

isobutyric acid sodium salt

2-Methylpropionic anhydride

glycerol

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