Pentaerythritol dioleate

Base Information

• Chemical Name: Pentaerythritol dioleate
• CAS No.: 25151-96-6
• Deprecated CAS: 172339-64-9,2307-91-7
• Molecular Formula: C41H76O6
• Molecular Weight: 665.051
• Hs Code.: 2916190090
• European Community (EC) Number: 246-665-2
• UNII: 9Z47CC098O
• Nikkaji Number: J208.870C
• Wikidata: Q27273402
• Mol file: 25151-96-6.mol

Synonyms:pentol

Chemical Property of Pentaerythritol dioleate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.484
• Boiling Point: 688.227 °C at 760 mmHg
• PKA: 13.53±0.10(Predicted)
• Flash Point: 187.777 °C
• PSA: 93.06000
• Density: 0.957 g/cm³
• LogP: 11.11880
• XLogP3: 13.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 38
• Exact Mass: 664.56419014
• Heavy Atom Count: 47
• Complexity: 684

Purity/Quality:

99.9% ^*data from raw suppliers

PENTAERYTHRITOL DIOLEATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pentaerythritol dioleate

There total 9 articles about Pentaerythritol 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: 87.0%

Pentaerythritol (115-77-5) + cis-Octadecenoic acid (112-80-1,2027-47-6) → 2,2-bis(hydroxymethyl)propane-1,3-diyl dioleate (25151-96-6)

Guidance literature:

With tin (II) oxalate; at 130 - 210 ℃; for 7h;

Reference yield: 82.0%

(Z)-Octadec-9-enoic acid 3-(4-methoxy-benzyloxy)-2-(4-methoxy-benzyloxymethyl)-2-((Z)-octadec-9-enoyloxymethyl)-propyl ester (256341-04-5) → 2,2-bis(hydroxymethyl)propane-1,3-diyl dioleate (25151-96-6)

Guidance literature:

With ammonium cerium(IV) nitrate; In dichloromethane; water; acetonitrile; at 20 ℃; for 0.666667h;

DOI:10.1016/S0040-4039(99)01934-6

Reference yield: 78.0%

(2,2-dimethyl-1,3-dioxane-5,5-diyl)bis(methylene) dioleate → 2,2-bis(hydroxymethyl)propane-1,3-diyl dioleate (25151-96-6)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 4h;

DOI:10.1016/j.colsurfb.2017.07.049

upstream raw materials:

(Z)-Octadec-9-enoic acid 3-(4-methoxy-benzyloxy)-2-(4-methoxy-benzyloxymethyl)-2-((Z)-octadec-9-enoyloxymethyl)-propyl ester

3,9-di(4-methoxyphenyl)-2,4,8,10-tetraoxaspiro<5,5>undecane

2,2-bis[{(4-methoxybenzyl)oxy}methyl]propane-1,3-diol

Pentaerythritol

Refernces

• 1、 Happe, Manuel,Kouadio, Martial,Treanor, Christopher,Sawall, Jan-Phillip,Fornage, Antoine,Sugnaux, Marc,Fischer, Fabian. "Size selectivity in lipase catalysed tetrol acylation". . p. 40 - 46. Retrieved 2014/11/08.
• 2、 -. "ESTERS FROM SOLID POLYOLS AND UNSATURATED CARBOXYLIC ACIDS". Paragraph 0280. . Retrieved 2013/03/26.