Pentaerythritol tetrabehenate

Base Information

• Chemical Name: Pentaerythritol tetrabehenate
• CAS No.: 61682-73-3
• Deprecated CAS: 331229-61-9,722538-91-2,1674364-68-1,1674364-68-1,722538-91-2
• Molecular Formula: C93H180O8
• Molecular Weight: 1426.45
• Hs Code.: 2915900090
• European Community (EC) Number: 262-895-6
• UNII: 9MNZ044IRY
• DSSTox Substance ID: DTXSID60893556
• Nikkaji Number: J106.247F
• Wikidata: Q27272751
• Mol file: 61682-73-3.mol

Synonyms:Pentaerythritol tetrabehenate;61682-73-3;Pentaerythrityl tetrabehenate;Pentaerythrite tetrabehenate;2,2-BIS[[(1-OXODOCOSYL)OXY]METHYL]PROPANE-1,3-DIYL DIDOCOSANOATE;EINECS 262-895-6;[3-docosanoyloxy-2,2-bis(docosanoyloxymethyl)propyl] docosanoate;UNII-9MNZ044IRY;BRN 1811574;9MNZ044IRY;2,2-Bis(((1-oxodocosyl)oxy)methyl)-1,3-propanediyl docosanoate;Docosanoic acid, 2,2-bis(((1-oxodocosyl)oxy)methyl)-1,3-propanediyl ester;Docosanoic acid, 2,2-bis(((1-oxodocosyl)oxy)methyl-1,3-propanediyl ester;4-02-00-01293 (Beilstein Handbook Reference);2,2-Bis(((1-oxodocosyl)oxy)methyl)propane-1,3-diyl didocosanoate;Docosanoic acid, 2,2-bis[[(1-oxodocosyl)oxy]methyl]-1,3-propanediyl ester;Docosanoic acid, 1,1'-(2,2-bis(((1-oxodocosyl)oxy)methyl)-1,3-propanediyl) ester;DUB PTB;LIPONATE PB-4;ETHOX PB-4;HEST P-4B;SCHEMBL1096530;DTXSID60893556;C93H180O8;PENTAERYTHRITOL TETRADOCOSANOATE;C93-H180-O8;PENTAERYTHRITOL, TETRADOCOSANOATE;LS-63372;PENTAERYTHRITYL TETRABEHENATE [INCI];Q27272751;2, 2- bis[[(1- oxodocosyl)oxy]methyl]propane- 1, 3- diyl didocosanoate;Docosanoic acid, 2,2-bis(((1-oxodocosyl)oxy)methyl)-1,3-propanediylester

Chemical Property of Pentaerythritol tetrabehenate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1109.5°C at 760 mmHg
• Flash Point: 361.1°C
• PSA: 105.20000
• Density: 0.904g/cm³
• LogP: 31.43320
• XLogP3: 42.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 92
• Exact Mass: 1425.36782270
• Heavy Atom Count: 101
• Complexity: 1410

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC

Technology Process of Pentaerythritol tetrabehenate

There total 1 articles about Pentaerythritol tetrabehenate 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) + n-docosanoic acid (112-85-6) → tetra-O-docosanoyl-pentaerythritol (61682-73-3)

Guidance literature:

at 180 ℃;

upstream raw materials:

Pentaerythritol

n-docosanoic acid