Butyl methyl sulfide

Base Information

• Chemical Name: Butyl methyl sulfide
• CAS No.: 628-29-5
• Molecular Formula: C5H12S
• Molecular Weight: 104.216
• Hs Code.: 2930909090
• European Community (EC) Number: 211-034-2
• UNII: 2N5IMB9XAP
• DSSTox Substance ID: DTXSID0060852
• Nikkaji Number: J44.104J
• Wikidata: Q27255067
• Mol file: 628-29-5.mol

Synonyms:Butyl methyl sulfide;628-29-5;n-Butyl methyl sulfide;Butane, 1-(methylthio)-;1-methylsulfanylbutane;Butyl methyl sulphide;1-(Methylthio)butane;Sulfide, butyl methyl;Methyl butyl sulphide;2-THIAHEXANE;Methyl butyl sulfide;Butyl methyl thioether;UNII-2N5IMB9XAP;2N5IMB9XAP;.alpha.-(Methylthio)butane;EINECS 211-034-2;n-Butyl methyl sulphide;butylmethylsulphide;butyl(methyl)sulfane;Methyl-n-butyl sulfide;Methyl n-butyl sulphide;1-(Methylsulfanyl)butane #;SCHEMBL111229;SCHEMBL9263441;DTXSID0060852;MFCD00015256;AKOS015897438;B0729;FT-0654652;T71148;A834026;Q27255067

Chemical Property of Butyl methyl sulfide

Chemical Property:

• Vapor Pressure: 2.1mmHg at 25°C
• Melting Point: -97.85°C
• Refractive Index: 1.4621
• Boiling Point: 122.6 °C at 760 mmHg
• Flash Point: 20.6 °C
• PSA: 25.30000
• Density: 0.85 g/cm³
• LogP: 2.14950
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 104.06597156
• Heavy Atom Count: 6
• Complexity: 19.9

Purity/Quality:

99.9% ^*data from raw suppliers

Butyl Methyl Sulfide >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R11:Highly flammable.
• Hazard Codes: R11:Highly flammable.
• Statements: 11
• Safety Statements: 16-23-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CCCCSC

Technology Process of Butyl methyl sulfide

There total 23 articles about Butyl 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: 97.0%

Methyl 4-chlorobenzoate (1126-46-1) + tris(methylthio)methane (5418-86-0) → n-butyl methyl sulfide (628-29-5) + tetrathioorthocarbonic acid tetramethyl ester (6156-25-8) + p-chlorophenyl di(methylthio)methyl ketone (171897-88-4)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; 1.) -95 deg C, 2 h; -95 deg C, 5 min, 2.) -95 deg C to 25 deg C, 30 min;

DOI:10.1021/jo00124a009

Reference yield: 87.0%

n-butanethiol (109-79-5) + methyl iodide (74-88-4) → n-butyl methyl sulfide (628-29-5)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; for 1h; Ambient temperature;

Reference yield: 67.0%

S-methylthiolanium cation (45377-03-5) → thiophene (110-01-0) + methane (34557-54-5,27936-85-2) + n-butyl methyl sulfide (628-29-5)

Guidance literature:

With hydrogenchloride; water; mercury; zinc; Ni(I)-F₄₃₀ pentamethyl ester; In N,N-dimethyl-formamide; at 25 ℃; Kinetics; reductive cleavage of methyl sulphonium salts, CH₄ formation;

DOI:10.1039/c39880000293

upstream raw materials:

dibutyl disulfide

betaine

1-bromo-butane

thiourea

Downstream raw materials:

Dimethyldisulphide

dibutyl disulfide

methyl butyl sulfoxide

butyraldehyde

Refernces

• 1、 Xie, Jiangang,Wu, Chengyao,Christopher, Branford White,Quan, Jing,Zhu, Limin. "Ionic liquids - Promoted S-methylation of thiols utilizing dimethyl carbonate". experimental part. p. 31 - 37. Retrieved 2011/04/22.
• 2、 Sivakumar, Aathimanivelu V.,Lahoti, Anand M.,Bhat, Sujata V.. "Enantioselective synthesis of phenyl-ethanolamines through application of chiral sulfoxide". experimental part. p. 3338 - 3347. Retrieved 2011/03/19.