Trimethylolpropane triheptanoate

Base Information

• Chemical Name: Trimethylolpropane triheptanoate
• CAS No.: 78-16-0
• Deprecated CAS: 112695-67-7,124449-15-6,850870-34-7
• Molecular Formula: C27H50 O6
• Molecular Weight: 470.69
• European Community (EC) Number: 201-089-0
• UNII: D253T06MKS
• DSSTox Substance ID: DTXSID80893730
• Nikkaji Number: J114.964D
• Wikidata: Q27276000
• Mol file: 78-16-0.mol

Synonyms:Trimethylolpropane triheptanoate;78-16-0;UNII-D253T06MKS;D253T06MKS;EINECS 201-089-0;1,1,1-Trimethylolpropane triheptanoate;EC 201-089-0;2-ETHYL-2-[[(1-OXOHEPTYL)OXY]METHYL]PROPANE-1,3-DIYL BISHEPTANOATE;Heptanoic acid, 2-ethyl-2-(((1-oxoheptyl)oxy)methyl)-1,3-propanediyl ester;Heptanoic acid, 1,1'-(2-ethyl-2-(((1-oxoheptyl)oxy)methyl)-1,3-propanediyl) ester;2-Ethyl-2-(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl bisheptanoate;Heptanoic acid, 2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester;BASESTOCK 704;REOLUBE LT 2100;Trimethylolpropane trienanthate;SCHEMBL1627955;DTXSID80893730;Heptanoic acid,1,1'-[2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester;P 41;W-109277;2,2-BIS[(HEPTANOYLOXY)METHYL]BUTYL HEPTANOATE;Q27276000

Chemical Property of Trimethylolpropane triheptanoate

Chemical Property:

• Vapor Pressure: 2.58E-11mmHg at 25°C
• Boiling Point: 530°C at 760 mmHg
• Flash Point: 219.3°C
• PSA: 78.90000
• Density: 0.971g/cm³
• LogP: 6.92360
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 25
• Exact Mass: 470.36073931
• Heavy Atom Count: 33
• Complexity: 447

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCC

Technology Process of Trimethylolpropane triheptanoate

There total 1 articles about Trimethylolpropane triheptanoate 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) + oenanthic acid (111-14-8) → trimethylolpropane triheptanoate (78-16-0)

Guidance literature:

With toluene; benzenesulfonic acid;

upstream raw materials:

1,1,1-tri(hydroxymethyl)propane

oenanthic acid