1,2-Propanediol dibehenate

Base Information

• Chemical Name: 1,2-Propanediol dibehenate
• CAS No.: 61682-74-4
• Molecular Formula: C47H92O4
• Molecular Weight: 721.231
• DSSTox Substance ID: DTXSID10977254
• Mol file: 61682-74-4.mol

Synonyms:1,2-Propanediol dibehenate;Docosanoic acid, 1-methyl-1,2-ethanediyl ester;61682-74-4;SCHEMBL6761993;Propane-1,2-diyl didocosanoate;DTXSID10977254;C47H92O4;C47-H92-O4;LS-63377;docosanoic acid 2-docosanoyloxy-1-methyl-ethyl ester

Chemical Property of 1,2-Propanediol dibehenate

Chemical Property:

• Vapor Pressure: 1.4E-20mmHg at 25°C
• Boiling Point: 720°Cat760mmHg
• Flash Point: 339.4°C
• Density: 0.888g/cm³
• XLogP3: 21.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 45
• Exact Mass: 720.69956141
• Heavy Atom Count: 51
• Complexity: 692

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCCCCCCCC

Technology Process of 1,2-Propanediol dibehenate

There total 2 articles about 1,2-Propanediol dibehenate 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:

n-docosanoic acid (112-85-6) → 1,2-propanediol dibehenoate (61682-74-4)

Guidance literature:

Multi-step reaction with 2 steps

1: p-toluene sulphonic acid / CHCl₃ / 5 h / Heating

2: pyridine / CHCl₃ / 1.) 15 deg C; 2.) room temperature

With pyridine; toluene-4-sulfonic acid; In chloroform;

Reference yield:

docosanoyl chloride (21132-76-3) + propylene glycol monobehenate (3539-32-0) → 1,2-propanediol dibehenoate (61682-74-4)

Guidance literature:

With pyridine; In chloroform; 1.) 15 deg C; 2.) room temperature;

upstream raw materials:

docosanoyl chloride

propylene glycol monobehenate

n-docosanoic acid