Trimethylolpropane tricaprate

Base Information

• Chemical Name: Trimethylolpropane tricaprate
• CAS No.: 78-17-1
• Molecular Formula: C36H68 O6
• Molecular Weight: 596.932
• European Community (EC) Number: 201-090-6
• UNII: X307CM75YF
• DSSTox Substance ID: DTXSID001014686
• Nikkaji Number: J114.967I
• Wikidata: Q27293484
• Mol file: 78-17-1.mol

Synonyms:Trimethylolpropane tricaprate;78-17-1;Trimethylolpropane caprate;Trimethylolpropane tridecanoate;UNII-X307CM75YF;X307CM75YF;EINECS 201-090-6;Decanoic acid,1,1'-[2-ethyl-2-[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl] ester;Decanoic acid, 2-ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl ester;2,2-bis(decanoyloxymethyl)butyl decanoate;2-Ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate;2-ETHYL-2-[[(1-OXODECYL)OXY]METHYL]-1,3-PROPANEDIYL DIDECANOATE;Decanoic acid, 2-ethyl-2-[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl ester;CRODAMOL TMP-CC;NISSAN UNISTER H 310;SCHEMBL9761793;DTXSID001014686;AKOS040754263;1-decanoyloxy-2,2-bis-(decanoyloxymethyl)-butane;Q27293484;2-((decanoyloxy)methyl)-2-ethylpropane-1,3-diyl bis(decanoate);Decanoic acid, 1,1'-(2-ethyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl) ester;DECANOIC ACID, TRIESTER WITH 2-ETHYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL

Chemical Property of Trimethylolpropane tricaprate

Chemical Property:

• Vapor Pressure: 8.31E-16mmHg at 25°C
• Boiling Point: 630.5°C at 760 mmHg
• Flash Point: 251.9°C
• PSA: 78.90000
• Density: 0.942g/cm³
• LogP: 10.43450
• XLogP3: 13.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 34
• Exact Mass: 596.50158988
• Heavy Atom Count: 42
• Complexity: 563

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC

Technology Process of Trimethylolpropane tricaprate

There total 2 articles about Trimethylolpropane tricaprate 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) + 1-decanoic acid (334-48-5) → trimethylolpropane caprate (64131-19-7) + 1-decanoyloxy-2,2-bis-decanoyloxymethyl-butane (78-17-1) + C26H50O5 (68818-54-2)

Guidance literature:

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

DOI:10.1016/j.apcata.2013.04.043

Reference yield:

1,1,1-tri(hydroxymethyl)propane (77-99-6) + 1-decanoic acid (334-48-5) → 1-decanoyloxy-2,2-bis-decanoyloxymethyl-butane (78-17-1)

Guidance literature:

With toluene; benzenesulfonic acid;

upstream raw materials:

1,1,1-tri(hydroxymethyl)propane

1-decanoic acid

Refernces

• 1、 Varhadi, Poonam,Kotwal, Mehejabeen,Srinivas. "Zirconium phenyl phosphonate phosphite as a highly active, reusable, solid acid catalyst for producing fatty acid polyol esters". . p. 129 - 136. Retrieved 2013/07/26.