Thiodiglycol dilaurate

Base Information

• Chemical Name: Thiodiglycol dilaurate
• CAS No.: 4275-31-4
• Deprecated CAS: 68818-41-7
• Molecular Formula: C28H54O4S
• Molecular Weight: 486.79
• DSSTox Substance ID: DTXSID3063388
• Nikkaji Number: J421.715B
• Wikidata: Q81990706
• Mol file: 4275-31-4.mol

Synonyms:Thiodiglycol dilaurate;4275-31-4;sulfanediyldiethane-2,1-diyl didodecanoate;Dodecanoic acid, thiodi-2,1-ethanediyl ester;Dodecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester;2-(2-dodecanoyloxyethylsulfanyl)ethyl dodecanoate;Didodecanoic acid thiobis(2,1-ethanediyl) ester;DTXSID3063388;C28H54O4S

Chemical Property of Thiodiglycol dilaurate

Chemical Property:

• Vapor Pressure: 1.71E-12mmHg at 25°C
• Boiling Point: 558.2°C at 760 mmHg
• Flash Point: 254.1°C
• PSA: 77.90000
• Density: 0.951g/cm³
• LogP: 8.64780
• XLogP3: 11
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 28
• Exact Mass: 486.37428137
• Heavy Atom Count: 33
• Complexity: 390

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OCCSCCOC(=O)CCCCCCCCCCC

Technology Process of Thiodiglycol dilaurate

There total 3 articles about Thiodiglycol dilaurate 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: 92.0%

lauric acid (143-07-7) + 2,2'-thiobis-ethanol (111-48-8) → Thiodiglycoldilaurat (4275-31-4,68818-41-7)

Guidance literature:

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

DOI:10.1007/s12039-012-0296-3

Reference yield:

lauric acid (143-07-7) → Thiodiglycoldilaurat (4275-31-4,68818-41-7)

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) + n-dodecanoyl chloride (112-16-3) → Thiodiglycoldilaurat (4275-31-4,68818-41-7)

Guidance literature:

With pyridine;

upstream raw materials:

lauric acid

2,2'-thiobis-ethanol

n-dodecanoyl chloride

Refernces