Pentaerythritol Distearate

Base Information

• Chemical Name: Pentaerythritol Distearate
• CAS No.: 13081-97-5
• Deprecated CAS: 129113-70-8,167969-00-8,81628-15-1,344588-76-7,1228320-97-5,2583703-82-4,1228320-97-5,167969-00-8,81628-15-1
• Molecular Formula: C41H80O6
• Molecular Weight: 669.083
• Hs Code.: 2915900090
• European Community (EC) Number: 235-991-0
• UNII: 697WOT8HNB
• DSSTox Substance ID: DTXSID4047175
• Nikkaji Number: J122.536G
• Wikidata: Q27264327
• Mol file: 13081-97-5.mol

Synonyms:Pentaerythritol Distearate;13081-97-5;Pentaerythrityl distearate;[2,2-bis(hydroxymethyl)-3-octadecanoyloxypropyl] octadecanoate;Octadecanoic acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester;UNII-697WOT8HNB;2,2-Bis(hydroxymethyl)propane-1,3-diyl distearate;697WOT8HNB;EINECS 235-991-0;CUTINA PES;DUB DSPE;P0738;RADIASURF 7175;SCHEMBL2700999;DTXSID4047175;C41H80O6;MFCD00059225;C41-H80-O6;HY-W127364;PENTAERYTHRITYL DISTEARATE [INCI];CS-0185601;D92005;2,2-Bis(hydroxymethyl)propane-1,3-diyldistearate;W-110312;Q27264327;Stearic acid, 2,2-bis(hydroxymethyl)trimethylene ester;2, 2- bis(hydroxymethyl)propane- 1, 3- diyl distearate;Octadecanoic acid, 1,1'-(2,2-bis(hydroxymethyl)-1,3-propanediyl) ester;3-Hydroxy-2-(hydroxymethyl)-2-[(stearoyloxy)methyl]propyl stearate AldrichCPR;3-Hydroxy-2-(hydroxymethyl)-2-[(stearoyloxy)methyl]propyl stearate, AldrichCPR

Chemical Property of Pentaerythritol Distearate

Chemical Property:

• Vapor Pressure: 1.82E-21mmHg at 25°C
• Melting Point: 72 °C
• Refractive Index: 1.473
• Boiling Point: 680.8 °C at 760 mmHg
• Flash Point: 183.7 °C
• PSA: 93.06000
• Density: 0.945 g/cm³
• LogP: 11.56680
• XLogP3: 15.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 40
• Exact Mass: 668.59549027
• Heavy Atom Count: 47
• Complexity: 610

Purity/Quality:

99.5%, ^*data from raw suppliers

Pentaerythritol Distearate (so called) [Lubricants] >95.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCC
• Uses: Pentaerythritol Distearate is an emulsifier, it can be used to increase a product’s viscosity.

Technology Process of Pentaerythritol Distearate

There total 2 articles about Pentaerythritol Distearate 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:

Pentaerythritol (115-77-5) + stearic acid (57-11-4) → O,O'-distearoyl-pentaerythritol (13081-97-5)

Guidance literature:

at 215 ℃;

Reference yield:

→ O,O'-distearoyl-pentaerythritol (13081-97-5)

Guidance literature:

With ethanol; palladium; Hydrogenation;

upstream raw materials:

Pentaerythritol

stearic acid

Refernces