Allyl(2-methylphenyl) sulfide

Base Information

• Chemical Name: Allyl(2-methylphenyl) sulfide
• CAS No.: 24309-31-7
• Molecular Formula: C10H12 S
• Molecular Weight: 164.271
• NSC Number: 115080
• DSSTox Substance ID: DTXSID50297281
• Nikkaji Number: J1.324.566E
• Wikidata: Q82038304
• Mol file: 24309-31-7.mol

Synonyms:24309-31-7;allyl(2-methylphenyl) sulfide;NSC115080;7-methylallyl phenyl sulfide;SCHEMBL6057067;Allyl (2-methylphenyl) sulfide;DTXSID50297281;BNSGMHNMKBXTOL-UHFFFAOYSA-N;1-(Allylsulfanyl)-2-methylbenzene #;NSC-115080

Chemical Property of Allyl(2-methylphenyl) sulfide

Chemical Property:

• Vapor Pressure: 0.181mmHg at 25°C
• Boiling Point: 219°C at 760 mmHg
• Flash Point: 85.1°C
• Density: 0.99g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 164.06597156
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1SCC=C

Technology Process of Allyl(2-methylphenyl) sulfide

There total 5 articles about Allyl(2-methylphenyl) 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: 94.0%

allyl alcohol (107-18-6) + 2-thiocresol (137-06-4) → 1-methyl-2-prop-2-enylsulfanylbenzene (24309-31-7)

Guidance literature:

With trisodium tris(3-sulfophenyl)phosphine; palladium diacetate; In hexane; water; at 20 ℃; for 5h;

DOI:10.1246/cl.2005.246

Reference yield: 82.0%

bis(2-methylphenyl)disulfide (4032-80-8) + allyl bromide (106-95-6) → 1-methyl-2-prop-2-enylsulfanylbenzene (24309-31-7)

Guidance literature:

With ytterbium; methyl iodide; In tetrahydrofuran; at 25 ℃; for 1h;

DOI:10.1081/SCC-120005416

Reference yield: 58.0%

allyl bromide (106-95-6) + 2-thiocresol (137-06-4) → 1-methyl-2-prop-2-enylsulfanylbenzene (24309-31-7)

Guidance literature:

With sodium hydroxide; at 50 ℃; for 0.75h;

DOI:10.1021/jo991842n

upstream raw materials:

allyl bromide

2-thiocresol

allyl benzenesulfonate

bis(2-methylphenyl)disulfide

Downstream raw materials:

N-allyl-4-methyl-N-(o-tolylthio)benzenesulfonamide