Trimethylolpropane trinonanoate

Base Information

• Chemical Name: Trimethylolpropane trinonanoate
• CAS No.: 126-57-8
• Deprecated CAS: 88426-26-0,61461-93-6,850871-56-6,61461-93-6
• Molecular Formula: C33H62 O6
• Molecular Weight: 554.852
• Hs Code.: 2915900090
• European Community (EC) Number: 204-793-6
• UNII: LYU05M4EOA
• DSSTox Substance ID: DTXSID8027038
• Nikkaji Number: J114.966K
• Wikidata: Q27283255
• Mol file: 126-57-8.mol

Synonyms:Trimethylolpropane trinonanoate;126-57-8;TRIMETHYLOLPROPANE TRIPELARGONATE;2,2-bis(nonanoyloxymethyl)butyl nonanoate;EINECS 204-793-6;UNII-LYU05M4EOA;LYU05M4EOA;2-Ethyl-2-[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate;Nonanoic acid, 1,1'-(2-ethyl-2-(((1-oxononyl)oxy)methyl)-1,3-propanediyl) ester;Nonanoic acid, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol;EC 204-793-6;Nonanoic acid, 2-ethyl-2-(((1-oxononyl)oxy)methyl)-1,3-propanediyl ester;CELANESE ESTER NO. 9 FOR GAS CHROMATOGR;2-Ethyl-2-((nonanoyloxy)methyl)propane-1,3-diyl dinonanoate;2-Ethyl-2-(((1-oxononyl)oxy)methyl)propane-1,3-diyl dinonan-1-oate;Nonanoic acid, 2-ethyl-2-[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester;2-Ethyl-2-(((1-oxononyl)oxy)methyl)propane-1,3-diyl dinonan- 1-oate;TMP TRINONANOATE;TMP TRIPELARGONATE;trimethylolpropantripelargonat;TMP-C 9;SCHEMBL812781;DTXSID8027038;C33H62O6;TRIMETHYLOLPROPANE, TRIPELARGONATE;LS-195233;Trimethylolpropane Triester with Pelargonic Acid;W-109461;Q27283255;1,3-PROPANEDIOL, 2-ETHYL-2-(HYDROXYMETHYL)-, TRINONANOATE;2-ETHYL-2-HYDROXYMETHYL, 1,3-PROPANEDIOL ESTER WITH PELARGONIC ACID;NONANOATE, 2-ETHYL-2-[[(1-OXONONYL)OXY]METHYL] -1,3-PROPANEDIYL

Chemical Property of Trimethylolpropane trinonanoate

Chemical Property:

• Vapor Pressure: 2.8E-14mmHg at 25°C
• Refractive Index: 1.461
• Boiling Point: 598.4°Cat760mmHg
• Flash Point: 241.9°C
• PSA: 78.90000
• Density: 0.95g/cm³
• LogP: 9.26420
• Water Solubility.: 78ng/L at 22℃
• XLogP3: 11.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 31
• Exact Mass: 554.45463969
• Heavy Atom Count: 39
• Complexity: 524

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Trimethylolpropane trinonanoate

There total 2 articles about Trimethylolpropane trinonanoate 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) + nonanoic acid (112-05-0) → 1-nonanoyloxy-2,2-bis-nonanoyloxymethyl-butane (126-57-8)

Guidance literature:

With toluene; benzenesulfonic acid; unter Entfernen des entstehenden Wassers;

Reference yield:

→ 1-nonanoyloxy-2,2-bis-nonanoyloxymethyl-butane (126-57-8)

Guidance literature:

1,1,1-Tris-hydroxymethyl-propan, 3Mol Pelargonsaeure, (Kochen, p-Toluolsulfonsaeure, Bzl., Toluol od. Xylol);

DOI:10.1021/je60015a035

upstream raw materials:

1,1,1-tri(hydroxymethyl)propane

nonanoic acid

Refernces