Thiodiglycol distearate

Base Information

• Chemical Name: Thiodiglycol distearate
• CAS No.: 4275-32-5
• Deprecated CAS: 98459-35-9
• Molecular Formula: C40H78O4S
• Molecular Weight: 655.11
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID8063389
• Nikkaji Number: J421.716K
• Wikidata: Q81990708
• Mol file: 4275-32-5.mol

Synonyms:Thiodiglycol distearate;4275-32-5;Octadecanoic acid, thiodi-2,1-ethanediyl ester;Octadecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester;2-(2-octadecanoyloxyethylsulfanyl)ethyl octadecanoate;DTXSID8063389;C40H78O4S;C40-H78-O4-S;Dioctadecanoic acid thiobis(2,1-ethanediyl) ester

Chemical Property of Thiodiglycol distearate

Chemical Property:

• Vapor Pressure: 1.23E-18mmHg at 25°C
• Boiling Point: 685.3°C at 760 mmHg
• Flash Point: 314.4°C
• PSA: 77.90000
• Density: 0.923g/cm³
• LogP: 13.32900
• XLogP3: 17.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 40
• Exact Mass: 654.56208214
• Heavy Atom Count: 45
• Complexity: 547

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCSCCOC(=O)CCCCCCCCCCCCCCCCC

Technology Process of Thiodiglycol distearate

There total 3 articles about Thiodiglycol 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: 96.0%

2,2'-thiobis-ethanol (111-48-8) + stearic acid (57-11-4) → Thiodiglycoldioctadecanoat (4275-32-5,98459-35-9)

Guidance literature:

With immobilized p-TsOH on activated carbon; In 5,5-dimethyl-1,3-cyclohexadiene; at 140 ℃; for 2h; chemoselective reaction;

DOI:10.1007/s12039-012-0296-3

Reference yield:

stearic acid (57-11-4) → Thiodiglycoldioctadecanoat (4275-32-5,98459-35-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: Py

With pyridine; thionyl chloride;

Reference yield:

2,2'-thiobis-ethanol (111-48-8) + Stearoyl chloride (112-76-5) → Thiodiglycoldioctadecanoat (4275-32-5,98459-35-9)

Guidance literature:

With pyridine;

upstream raw materials:

2,2'-thiobis-ethanol

stearic acid

Stearoyl chloride

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