Decyl methyl sulfide

Base Information

• Chemical Name: Decyl methyl sulfide
• CAS No.: 22438-39-7
• Molecular Formula: C11H24 S
• Molecular Weight: 188.378
• Hs Code.: 2930909090
• European Community (EC) Number: 244-997-2
• DSSTox Substance ID: DTXSID60176977
• Nikkaji Number: J208.421J
• Wikidata: Q83047302
• Mol file: 22438-39-7.mol

Synonyms:Decyl methyl sulfide;22438-39-7;n-Decyl methyl sulfide;1-methylsulfanyldecane;Decyl methyl sulphide;1-(Methylsulfanyl)decane;2-Thiadodecane;Decane, 1-(methylthio)-;EINECS 244-997-2;Decylmethyl sulfide;Decyl(methyl)sulfane;Sulfide, decyl methyl;n-Decyl methyl sulphide;SCHEMBL201396;DTXSID60176977;MFCD00026541;AKOS025396837;CS-0336348;D1836;D89932

Chemical Property of Decyl methyl sulfide

Chemical Property:

• Vapor Pressure: 0.0252mmHg at 25°C
• Melting Point: -26.79°C (estimate)
• Refractive Index: 1.4605
• Boiling Point: 256.1°Cat760mmHg
• Flash Point: 117°C
• PSA: 25.30000
• Density: 0.84g/cm³
• LogP: 4.49010
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 188.15987194
• Heavy Atom Count: 12
• Complexity: 71.4

Purity/Quality:

98% ^*data from raw suppliers

Decyl Methyl Sulfide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCSC

Technology Process of Decyl methyl sulfide

There total 10 articles about Decyl 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: 100.0%

methylthiol (74-93-1) + 1-Decene (872-05-9,17438-89-0,25189-70-2) → 1-(methylthio)decane (22438-39-7)

Guidance literature:

With C₃₈H₂₈Au₂F₁₂FeN₂O₈P₂S₄; In 1,4-dioxane; at 45 ℃; for 20h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/anie.201809051

Reference yield: 76.0%

1-Decanol (112-30-1) + tributyl(methylthio)phosphonium p-toluenesulfonate → 1-(methylthio)decane (22438-39-7)

Guidance literature:

With [2,2]bipyridinyl; n-butyllithium; In tetrahydrofuran; hexane; for 24h; Heating;

Reference yield: 70.0%

decylthiol (143-10-2) + methyl iodide (74-88-4) → 1-(methylthio)decane (22438-39-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h; Cooling with ice;

upstream raw materials:

1-bromo dodecane

sodium thiomethoxide

decylthiol

methyl iodide

Downstream raw materials:

toluene-4-sulfonic acid ; decyl-dimethyl sulfonium-salt

2-(decylthio)acetic acid

methyl octyl sulfide

1-thiacycloheptane 1-oxide