Methyl isobutyl sulfide

Base Information

• Chemical Name: Methyl isobutyl sulfide
• CAS No.: 5008-69-5
• Molecular Formula: C5H12 S
• Molecular Weight: 104.216
• Hs Code.: 2930909090
• NSC Number: 97332
• UNII: XD9E7MGV67
• DSSTox Substance ID: DTXSID40294603
• Nikkaji Number: J100.769F
• Wikidata: Q63395346
• Mol file: 5008-69-5.mol

Synonyms:Methyl isobutyl sulfide;Isobutyl methyl sulfide;4-Methyl-2-thiapentane;5008-69-5;Sulfide, isobutyl methyl;2-methyl-1-methylsulfanylpropane;Propane, 2-methyl-1-(methylthio)-;XD9E7MGV67;NSC-97332;2-Methyl-1-(methylthio)propane;2-Methyl-1-(methylsulfanyl)propane;UNII-XD9E7MGV67;isobutyl(methyl)sulfane;METHYLISOBUTYLSULFIDE;SCHEMBL87377;DTXSID40294603;UYVGFIKOUAFDOZ-UHFFFAOYSA-N;NSC97332;2-Methyl-1-(methylsulfanyl)propane #;AKOS006241745;FT-0753622;Q63395346

Chemical Property of Methyl isobutyl sulfide

Chemical Property:

• Vapor Pressure: 29.3mmHg at 25°C
• Melting Point: -109.1°C
• Refractive Index: 1.4410
• Boiling Point: 109.3°C at 760 mmHg
• Flash Point: 5°C
• PSA: 25.30000
• Density: 0.83g/cm³
• LogP: 2.00540
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 104.06597156
• Heavy Atom Count: 6
• Complexity: 25.1

Purity/Quality:

99% ^*data from raw suppliers

METHYL ISOBUTYL SULFIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CSC

Technology Process of Methyl isobutyl sulfide

There total 1 articles about Methyl isobutyl 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:

water (7732-18-5) + isobutyl-dimethyl-sulfonium; iodide (116008-15-2) → methanol (67-56-1) + dimethylsulfide (75-18-3) + isobutyl methyl sulfide (5008-69-5) + isobutene (115-11-7,15220-85-6)

Guidance literature:

DOI:10.1039/jr9480002072

Reference yield: 93.0%

isobutyl methyl sulfide (5008-69-5) → iso-butyl methyl sulfoxide (26547-93-3)

Guidance literature:

With dihydrogen peroxide; In acetonitrile; at 0 ℃; for 12h;

DOI:10.1021/jo00208a022

Reference yield:

isobutyl methyl sulfide (5008-69-5) → isobutyl (methylthio)methyl sulfoxide (69977-55-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / 30percent H₂O₂ / acetonitrile / 12 h / 0 °C

2: 1.) LDA / 1.) THF, -78 deg C, 1 h, 2.) a) -78 deg C, 1 h, b) 0 deg C, 3 h

With dihydrogen peroxide; lithium diisopropyl amide; In acetonitrile;

DOI:10.1021/jo00208a022

upstream raw materials:

water

isobutyl-dimethyl-sulfonium; iodide

Downstream raw materials:

iso-butyl methyl sulfoxide

iso-butyl methyl sulfone

isobutyl (methylthio)methyl sulfoxide