Di-tert-hexyl disulphide

Base Information

• Chemical Name: Di-tert-hexyl disulphide
• CAS No.: 91636-02-1
• Molecular Formula: C12H26 S2
• Molecular Weight: 234.47
• European Community (EC) Number: 304-188-8,653-834-8
• NSC Number: 677453,159040
• UNII: P3W32T2E46
• DSSTox Substance ID: DTXSID20241251
• Wikidata: Q83124670
• ChEMBL ID: CHEMBL439602
• Mol file: 91636-02-1.mol

Synonyms:Di-tert-hexyl disulphide;91636-02-1;Bis(1,1-dimethylbutyl) disulfide;NSC-677453;NSC-159040;P3W32T2E46;Disulfide, bis(1,1-dimethylbutyl);NSC677453;1,1-Dimethylbutyl disulfide;94247-12-8;2-Methyl-2-((2-methylpentan-2-yl)disulfanyl)pentane;EINECS 304-188-8;di-t-hexyl disulfide;UNII-P3W32T2E46;CHEMBL439602;SCHEMBL9901640;DTXSID20241251;NSC159040;AKOS024333846;2-(1,1-dimethylbutyldisulfanyl)-2-methyl-pentane

Chemical Property of Di-tert-hexyl disulphide

Chemical Property:

• Vapor Pressure: 0.00463mmHg at 25°C
• Boiling Point: 286.2°Cat760mmHg
• Flash Point: 78.4°C
• Density: 0.92g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 234.14759318
• Heavy Atom Count: 14
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)(C)SSC(C)(C)CCC

Technology Process of Di-tert-hexyl disulphide

There total 2 articles about Di-tert-hexyl disulphide 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:

2-methyl-2-pentene (625-27-4) → 2-methylpentane-2-thiol (1633-97-2) + bis-(1,1-dimethyl-butyl)-disulfane (91636-02-1)

Guidance literature:

With sulfur; diethylamine; at 140 ℃;

DOI:10.1039/jr9540002089

Reference yield:

2-methyl-2-pentene (625-27-4) + diethylamine (109-89-7) → 2-methylpentane-2-thiol (1633-97-2) + bis-(1,1-dimethyl-butyl)-disulfane (91636-02-1)

Guidance literature:

at 140 ℃;

DOI:10.1039/jr9540002089

upstream raw materials:

2-methyl-2-pentene

diethylamine