Trimethylolpropane trivalerate

Base Information

• Chemical Name: Trimethylolpropane trivalerate
• CAS No.: 78-15-9
• Molecular Formula: C21H38 O6
• Molecular Weight: 386.529
• European Community (EC) Number: 201-088-5
• DSSTox Substance ID: DTXSID90889326
• Nikkaji Number: J114.962H
• Wikidata: Q82869183
• Mol file: 78-15-9.mol

Synonyms:Trimethylolpropane trivalerate;78-15-9;EINECS 201-088-5;2-ETHYL-2-[[(1-OXOPENTYL)OXY]METHYL]PROPANE-1,3-DIYL DIVALERATE;Pentanoic acid, 2-ethyl-2-(((1-oxopentyl)oxy)methyl)-1,3-propanediyl ester;Pentanoic acid, 1,1'-(2-ethyl-2-(((1-oxopentyl)oxy)methyl)-1,3-propanediyl) ester;2,2-bis(pentanoyloxymethyl)butyl pentanoate;2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate;Pentanoic acid, 1,1'-[2-ethyl-2-[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl] ester;Pentanoic acid, 2-ethyl-2-[[(1-oxopentyl)oxy]methyl]-1,3-propanediyl ester;SCHEMBL812747;DTXSID90889326;W-109276;2-ethyl-2-[[(1-oxopentyl)oxy]methyl]propan-1,3-diyldivalerat

Chemical Property of Trimethylolpropane trivalerate

Chemical Property:

• Vapor Pressure: 1.86E-08mmHg at 25°C
• Boiling Point: 454.7°C at 760 mmHg
• Flash Point: 192.1°C
• PSA: 78.90000
• Density: 1.002g/cm³
• LogP: 4.58300
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 19
• Exact Mass: 386.26683893
• Heavy Atom Count: 27
• Complexity: 373

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OCC(CC)(COC(=O)CCCC)COC(=O)CCCC

Technology Process of Trimethylolpropane trivalerate

There total 1 articles about Trimethylolpropane trivalerate 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:

1,1,1-tri(hydroxymethyl)propane (77-99-6) + valeric acid (109-52-4) → trimethylolpropane monopentanoate (80123-07-5) + trimethylolpropane dipentanoate (1448776-05-3) + trimethylolpropane tripentanoate (78-15-9)

Guidance literature:

With 1.05HO₃P*0.95C₆H₅O₃P^(2-)*0.1H₂O*Zr⁽²⁺⁾; at 180 ℃; for 1h;

DOI:10.1016/j.apcata.2013.04.043

upstream raw materials:

1,1,1-tri(hydroxymethyl)propane

valeric acid

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