Decyl sulfide

Base Information

• Chemical Name: Decyl sulfide
• CAS No.: 693-83-4
• Molecular Formula: C20H42 S
• Molecular Weight: 314.619
• Hs Code.: 2930909090
• European Community (EC) Number: 211-761-5
• NSC Number: 408645
• UNII: SP355V2BWY
• DSSTox Substance ID: DTXSID8061006
• Nikkaji Number: J97.231B
• Wikidata: Q81989269
• Mol file: 693-83-4.mol

Synonyms:Decyl sulfide;di-n-Decyl sulfide;693-83-4;Decane, 1,1'-thiobis-;Didecyl sulfide;didecylsulfane;n-Decyl sulfide;11-Thiaheneicosane;1-decylsulfanyldecane;Didecyl sulphide;EINECS 211-761-5;NSC 408645;NSC-408645;AI3-12173;Di-n-decylsulfide;C20H42S;Decane,1'-thiobis-;1,1'-thiobis-Decane;1,1'-Thiobis[decane];1-(Decylsulfanyl)decane #;SP355V2BWY;S(CCCCCCCCCC)CCCCCCCCCC;SCHEMBL866962;DTXSID8061006;C20-H42-S;MFCD00026542;NSC408645;AKOS024319079;CS-0454981;FT-0625175

Chemical Property of Decyl sulfide

Chemical Property:

• Vapor Pressure: 5.27E-06mmHg at 25°C
• Melting Point: 24-26°C
• Refractive Index: 1.4730 (estimate)
• Boiling Point: 217-218°C 8mm
• Flash Point: 217-218°C/8mm
• PSA: 25.30000
• Density: 0.844g/cm³
• LogP: 8.00100
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 314.30072251
• Heavy Atom Count: 21
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

Di-n-decyl sulfide, 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CCCCCCCCCCSCCCCCCCCCC
• Uses: Organic synthesis (formation of sulfonium compounds).

Technology Process of Decyl sulfide

There total 9 articles about Decyl sulfide 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: 83.0%

1-bromo dodecane (112-29-8) → didecyl sulfide (693-83-4)

Guidance literature:

With dithiooxamide; sodium hydroxide; In water; at 30 - 35 ℃; for 6h; Green chemistry;

DOI:10.1002/ejoc.201500156

Reference yield: 67.0%

Iododecane (2050-77-3) → decylthiol (143-10-2) + didecyl sulfide (693-83-4)

Guidance literature:

With sodium sulfide trihydrate; at 20 ℃; for 1.5h;

DOI:10.1055/s-0034-1380291

Reference yield: 26.3%

1-Decanol (112-30-1) → decylthiol (143-10-2) + 1-Decene (872-05-9,17438-89-0,25189-70-2) + didecyl sulfide (693-83-4)

Guidance literature:

With P,S; at 160 - 225 ℃; for 6h; Product distribution;

upstream raw materials:

1-bromo dodecane

decylthiol

sodium n-decylthiolate

decyloksantogenian potasowy

Downstream raw materials:

di-n-decylsulfone

didecyl sulphoxide

Refernces

• 1、 Abbasi, Mohammad,Mohammadizadeh, Mohammad Reza,Moosavi, Hekmat,Saeedi, Narges. "One-pot synthesis of organic disulfides (disulfanes) from alkyl halides using sodium sulfide trihydrate and hexachloroethane or carbon tetrachloride in the poly(ethylene glycol) (PEG-200)". . p. 1185 - 1190. Retrieved 2015/03/31.