Dihexadecyl sulphide

Base Information

• Chemical Name: Dihexadecyl sulphide
• CAS No.: 3312-77-4
• Molecular Formula: C32H66 S
• Molecular Weight: 482.942
• Hs Code.: 2930909090
• European Community (EC) Number: 222-002-2
• NSC Number: 12044
• UNII: FAU6FS678H
• DSSTox Substance ID: DTXSID10186783
• Nikkaji Number: J97.254A
• Wikidata: Q83058177
• Mol file: 3312-77-4.mol

Synonyms:3312-77-4;N-Hexadecyl Sulfide;Hexadecyl Sulfide;Dihexadecyl sulphide;DIHEXADECYL SULFIDE;1-hexadecylsulfanylhexadecane;dicetyl sulfide;FAU6FS678H;Hexadecane, 1,1'-thiobis-;EINECS 222-002-2;NSC-12044;AI3-12175;Cetyl Sulfide;dihexadecylsulfane;C32H66S;hexadecyl thioether;NSC12044;di-n-hexadecyl sulfide;UNII-FAU6FS678H;SCHEMBL968370;DTXSID10186783;C32-H66-S;MFCD00026657;NSC 12044;AKOS024399276;HEXADECANE, 1-(HEXADECYLTHIO)-;FT-0742522;H0486;A20006;D90885

Chemical Property of Dihexadecyl sulphide

Chemical Property:

• Vapor Pressure: 2.52E-11mmHg at 25°C
• Melting Point: 62 °C
• Boiling Point: 543.6°Cat760mmHg
• Flash Point: 324.6°C
• PSA: 25.30000
• Density: 0.846g/cm³
• LogP: 12.68220
• XLogP3: 16.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 30
• Exact Mass: 482.48852328
• Heavy Atom Count: 33
• Complexity: 284

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-HexadecylSulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCC

Technology Process of Dihexadecyl sulphide

There total 6 articles about Dihexadecyl sulphide 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: 39.2%

1-Hexadecanol (36653-82-4,124-29-8) → dihexadecyl sulfide (3312-77-4) + 16-mercaptohexadecanoate (2917-26-2) + 1-Hexadecene (629-73-2)

Guidance literature:

With P, S; at 171 - 180 ℃; for 6h; Product distribution;

Reference yield:

hexadecanyl bromide (112-82-3) → dihexadecyl sulfide (3312-77-4)

Guidance literature:

With sodium sulfide; ethanol;

Reference yield:

→ dihexadecyl sulfide (3312-77-4)

Guidance literature:

With hydrogen sulfide; iron(II) chloride; at 25 ℃;

upstream raw materials:

1-Chlorohexadecan

hexadecanyl bromide

sodium n-hexadecylthiolate

1-Hexadecanol

Downstream raw materials:

1-Chlorohexadecan

hexadecane-1-sulfonic acid

diphenyl sulfide

hexadecyl-phenyl sulfide

Refernces