Trimethylolethane tridecanoate

Base Information

• Chemical Name: Trimethylolethane tridecanoate
• CAS No.: 67874-05-9
• Molecular Formula: C35H66O6
• Molecular Weight: 582.905
• European Community (EC) Number: 267-451-5
• DSSTox Substance ID: DTXSID40987220
• Nikkaji Number: J106.215H
• Wikidata: Q82975426
• Mol file: 67874-05-9.mol

Synonyms:Trimethylolethane tridecanoate;67874-05-9;Trimethanol ethane tricaprate;2-Methyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl didecanoate;EINECS 267-451-5;2-methyl-2-[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl didecanoate;Decanoic acid, 1,1'-(2-methyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl) ester;Decanoic acid, 2-methyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediyl ester;Decanoic acid, 2-methyl-2-[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl ester;Trimethylolethane tricaprate;DTXSID40987220;[3-decanoyloxy-2-(decanoyloxymethyl)-2-methylpropyl] decanoate;1,3-bis-(decanoyloxy)-2-decanoyloxymethyl-2-methyl-propane;2-[(Decanoyloxy)methyl]-2-methylpropane-1,3-diyl didecanoate;Decanoic acid, 2-methyl-2-(((1-oxodecyl)oxy)methyl)-1,3-propanediylester

Chemical Property of Trimethylolethane tridecanoate

Chemical Property:

• Vapor Pressure: 2.71E-15mmHg at 25°C
• Boiling Point: 619.9°Cat760mmHg
• Flash Point: 248.7°C
• PSA: 78.90000
• Density: 0.945g/cm³
• LogP: 10.04440
• XLogP3: 12.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 33
• Exact Mass: 582.48593982
• Heavy Atom Count: 41
• Complexity: 549

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Trimethylolethane tridecanoate

There total 1 articles about Trimethylolethane tridecanoate 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:

2-(hydroxymethyl)-2-methylpropane-1,3-diol (77-85-0) + 1-decanoic acid (334-48-5) → 2-(hydroxymethyl)-2-methyl-1,3-propanediol tridecanoate (67874-05-9)

Guidance literature:

With toluene; benzenesulfonic acid;

upstream raw materials:

2-(hydroxymethyl)-2-methylpropane-1,3-diol

1-decanoic acid