Trimethylolpropane dioleate

Base Information

• Chemical Name: Trimethylolpropane dioleate
• CAS No.: 25111-05-1
• Molecular Formula: C42H78 O5
• Molecular Weight: 663.078
• European Community (EC) Number: 246-625-4
• UNII: N50538N1SO
• DSSTox Substance ID: DTXSID5067055
• Nikkaji Number: J236.056J
• Wikidata: Q27284560
• Mol file: 25111-05-1.mol

Synonyms:trimethylolpropane dioleate;25111-05-1;2-Ethyl-2-(hydroxymethyl)-1,3-propanediyl dioleate;UNII-N50538N1SO;N50538N1SO;EINECS 246-625-4;9-Octadecenoic acid (Z)-, 2-ethyl-2-(hydroxymethyl)-1,3-propanediyl ester;9-Octadecenoic acid (9Z)-, 2-ethyl-2-(hydroxymethyl)-1,3-propanediyl ester;EC 246-625-4;9-Octadecenoic acid (9Z)-, 1,1'-(2-ethyl-2-(hydroxymethyl)-1,3-propanediyl) ester;Bis[(Z)-9-octadecenoic acid]2-ethyl-2-hydroxymethyl-1,3-propanediyl ester;BIS((Z)-9-OCTADECENOIC ACID)2-ETHYL-2-HYDROXYMETHYL-1,3-PROPANEDIYL ESTER;DTXSID5067055;SCHEMBL14446878;C42H78O5;J236.056J;W-110609;Q27284560;1,3-PROPANEDIOL, 2-ETHYL-2-(HYDROXYMETHYL)-, DIOLEATE;OLEIC ACID, 2-ETHYL-2-(HYDROXYMETHYL)TRIMETHYLENE ESTER;2-(HYDROXYMETHYL)-2-(((9Z)-9-OCTADECENOYLOXY)METHYL)BUTYL (9Z)-9-OCTADECENOATE;2-(HYDROXYMETHYL)-2-(((9Z)-OCTADEC-9-ENOYLOXY)METHYL)BUTYL (9Z)-OCTADEC-9-ENOATE;9-OCTADECENOIC ACID, 2-ETHYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIYL ESTER, (9Z,9'Z)-

Chemical Property of Trimethylolpropane dioleate

Chemical Property:

• Vapor Pressure: 1.06E-21mmHg at 25°C
• Boiling Point: 684.6°Cat760mmHg
• Flash Point: 185.2°C
• PSA: 72.83000
• Density: 0.929g/cm³
• LogP: 12.53650
• XLogP3: 15.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 38
• Exact Mass: 662.58492558
• Heavy Atom Count: 47
• Complexity: 687

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)(CO)CC

Technology Process of Trimethylolpropane dioleate

There total 5 articles about Trimethylolpropane dioleate 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) + cis-Octadecenoic acid (112-80-1,2027-47-6) → trimethylolpropane trioleate (91727-78-5) + trimethylolpropane monooleate (4813-60-9) + trimethylolpropane dioleate (25111-05-1)

Guidance literature:

With Novozyme 435; at 70 ℃; Molecular sieve; Neat (no solvent); Enzymatic reaction;

DOI:10.1039/c2gc35479a

Reference yield:

1,1,1-tri(hydroxymethyl)propane (77-99-6) + cis-Octadecenoic acid (112-80-1,2027-47-6) → trimethylolpropane monooleate (4813-60-9) + trimethylolpropane dioleate (25111-05-1)

Guidance literature:

With Novozyme 435; at 70 ℃; Kinetics; Molecular sieve; Microwave irradiation; Neat (no solvent); Enzymatic reaction;

DOI:10.1039/c2gc35479a

Reference yield:

1,1,1-tri(hydroxymethyl)propane (77-99-6) + Methyl oleate (112-62-9) → trimethylolpropane trioleate (91727-78-5) + trimethylolpropane monooleate (4813-60-9) + trimethylolpropane dioleate (25111-05-1)

Guidance literature:

With 3C₉H₁₄NO₃S⁽¹⁺⁾*O₄₀PW₁₂^(3-); at 130 ℃; for 3h;

DOI:10.1016/j.apcata.2010.11.011

upstream raw materials:

1,1,1-tri(hydroxymethyl)propane

Methyl oleate

cis-Octadecenoic acid

Refernces

• 1、 Kuzminska, Maryna,Backov, Rénal,Gaigneaux, Eric M.. "Complementarity of heterogeneous and homogeneous catalysis for oleic acid esterification with trimethylolpropane over ion-exchange resins". . p. 222 - 225. Retrieved 2015.
• 2、 -. "PROCESS FOR PREPARING BIODEGRADABLE LUBRICANT BASE OILS". Paragraph 0080; 0091. . Retrieved 2015/06/03.