Hexadecyl methyl sulfide

Base Information

• Chemical Name: Hexadecyl methyl sulfide
• CAS No.: 27563-68-4
• Molecular Formula: C17H36 S
• Molecular Weight: 272.53
• DSSTox Substance ID: DTXSID60181965
• Nikkaji Number: J1.294.082C
• Wikidata: Q83052618
• Mol file: 27563-68-4.mol

Synonyms:Hexadecyl methyl sulfide;1-methylsulfanylhexadecane;27563-68-4;Sulfide, hexadecyl methyl;Methylhexadecyl sulfide;Hexadecane, 1-(methylthio)-;SCHEMBL200459;C17H36S;DTXSID60181965;C17-H36-S;FT-0735205

Chemical Property of Hexadecyl methyl sulfide

Chemical Property:

• Vapor Pressure: 0.000111mmHg at 25°C
• Melting Point: 7.75°C (estimate)
• Refractive Index: 1.4621
• Boiling Point: 347.1°Cat760mmHg
• Flash Point: 182.7°C
• PSA: 25.30000
• Density: 0.843g/cm³
• LogP: 6.83070
• XLogP3: 8.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 272.25377232
• Heavy Atom Count: 18
• Complexity: 134

Purity/Quality:

HEXADECYL METHYL SULFIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCSC

Technology Process of Hexadecyl methyl sulfide

There total 4 articles about Hexadecyl methyl 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: 87.0%

1-Chlorohexadecan (4860-03-1) + sodium thiomethoxide (5188-07-8) → methyl n-hexadecyl sulfide (27563-68-4)

Guidance literature:

In ethanol; Heating;

DOI:10.1080/00304940009356286

Reference yield:

methylthiol (74-93-1) + hexadecanyl bromide (112-82-3) → methyl n-hexadecyl sulfide (27563-68-4)

Guidance literature:

With ethanol; sodium; at -20 ℃; anschliessenden Kochen;

Reference yield:

16-mercaptohexadecanoate (2917-26-2) + dimethyl sulfate (77-78-1) → methyl n-hexadecyl sulfide (27563-68-4)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

16-mercaptohexadecanoate

dimethyl sulfate

methylthiol

hexadecanyl bromide

Downstream raw materials:

n-hexadecyl methyl sulfoxide

Refernces