Trimethylolpropane triethylhexanoate

Base Information

• Chemical Name: Trimethylolpropane triethylhexanoate
• CAS No.: 26086-33-9
• Molecular Formula: C30H56 O6
• Molecular Weight: 512.771
• European Community (EC) Number: 607-859-6
• UNII: B952ZGW1IL
• DSSTox Substance ID: DTXSID601021948
• Nikkaji Number: J3.231.797I
• Wikidata: Q27274531
• Mol file: 26086-33-9.mol

Synonyms:Trimethylolpropane triethylhexanoate;26086-33-9;Pelemol TMPO;Nikkol Trialan-308;Trimethylolpropane tris(2-ethylhexanoate);NS-308;B952ZGW1IL;1,1,1-Trimethylolpropane tris(2-ethylhexanoate);2,2-bis(2-ethylhexanoyloxymethyl)butyl 2-ethylhexanoate;2-Ethyl-2-(((1-oxo-2-ethylhexyl)oxy)methyl)-1,3-propanediyl 2-ethylhexanoate;Hexanoic acid, 2-ethyl-, 2-ethyl-2-(((2-ethyl-1-oxohexyl)oxy)methyl)-1,3-propanediyl ester;Hexanoic acid, 2-ethyl-, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol;Hexanoic acid, 2-ethyl-, 1,1'-(2-ethyl-2-(((2-ethyl-1-oxohexyl)oxy)methyl)-1,3-propanediyl) ester;Hexanoic acid, 2-ethyl-, 1,1'-[2-ethyl-2-[[(2-ethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl] ester;UNII-B952ZGW1IL;SCHEMBL80648;QOOJEEZYYXGPAO-UHFFFAOYSA-N;DTXSID601021948;TRIMETHYLOLPROPANE TRIETHYLHEXANOATE [INCI];Q27274531;2, 2-bis(2-ethylhexanoyloxymethyl)butyl 2-ethylhexanoate;TRIMETHYLOLPROPANE TRIESTER WITH 2-ETHYLHEXANOIC ACID;Hexanoic acid,2-ethyl-,1,1'-[2-ethyl-2-[[(2-ethyl-1-oxohexyl)oxy]methyl]-1,3-propanediyl]ester

Chemical Property of Trimethylolpropane triethylhexanoate

Chemical Property:

• Boiling Point: 555.2±30.0 °C(Predicted)
• PSA: 78.90000
• Density: 0.9420-0.9430 g/cm3(Temp: 26 °C)
• LogP: 7.66160
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 25
• Exact Mass: 512.40768950
• Heavy Atom Count: 36
• Complexity: 523

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Trimethylolpropane triethylhexanoate

There total 6 articles about Trimethylolpropane triethylhexanoate 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: 98.0%

1,1,1-tri(hydroxymethyl)propane (77-99-6) + 2-Ethylhexanoic acid (149-57-5) → trimethylolpropane tri(2-ethyl hexanoate) (26086-33-9)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; at 140 ℃; Inert atmosphere;

DOI:10.21608/EJCHEM.2021.83605.4103

Reference yield:

1,1,1-tri(hydroxymethyl)propane (77-99-6) + methyl 2-ethylhexanoate (816-19-3) → methanol (67-56-1) + trimethylolpropane tri(2-ethyl hexanoate) (26086-33-9)

Guidance literature:

1,1,1-tri(hydroxymethyl)propane; methyl 2-ethylhexanoate; sodium methylate; In methanol; at 80 ℃;

With water; In methanol; at 20 ℃; for 0.00833333h; Product distribution / selectivity;

Reference yield:

1,1,1-tri(hydroxymethyl)propane (77-99-6) + 2-Ethylhexanoic acid (149-57-5) → trimethylolpropane tri(2-ethyl hexanoate) (26086-33-9) + C22H42O5

Guidance literature:

With sulfonated with chlorosulfonic acid amorphous carbons derived from wood powder; In neat (no solvent); at 180 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.catcom.2017.03.015

upstream raw materials:

1,1,1-tri(hydroxymethyl)propane

methyl 2-ethylhexanoate

2-Ethylhexanoic acid

Refernces

• 1、 Kamal, Rasha S.,Nassar, Amal M.,Ahmed, Nehal S.. "Study the Efficiency of Some Esters Based on 2- Ethyl Hexanoic Acid as Synthetic Lubricants". . p. 7191 - 7200. Retrieved 2021/11/16.
• 2、 -. "METHOD FOR PREPARING ESTER COMPOUND USING SULFONIC ACID OR SULFONATE CATALYSTS". Paragraph 0059; 0060. . Retrieved 2017/03/21.