Hexyl sulfoxide

Base Information

• Chemical Name: Hexyl sulfoxide
• CAS No.: 2180-20-3
• Molecular Formula: C12H26OS
• Molecular Weight: 218.404
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID00176214
• Nikkaji Number: J475.519G
• Mol file: 2180-20-3.mol

Synonyms:HEXYL SULFOXIDE;Di-n-hexyl sulfoxide;Dihexyl sulfoxide;2180-20-3;Hexane, 1,1'-sulfinylbis-;Di-n-hexyl sulfoxid [German];BRN 1762083;Di-n-hexyl sulfoxid;SCHEMBL625967;DTXSID00176214;LS-75740;4-01-00-01706 (Beilstein Handbook Reference)

Chemical Property of Hexyl sulfoxide

Chemical Property:

• Vapor Pressure: 0.000164mmHg at 25°C
• Boiling Point: 340.9°C at 760 mmHg
• Flash Point: 160°C
• PSA: 36.28000
• Density: 0.924g/cm³
• LogP: 4.76140
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 218.17043662
• Heavy Atom Count: 14
• Complexity: 120

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CCCCCCS(=O)CCCCCC

Technology Process of Hexyl sulfoxide

There total 3 articles about Hexyl sulfoxide 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:

C6H10O4S → hex-5-ene-1,2-diol (36842-44-1) + dihexyl sulphoxide (2180-20-3)

Guidance literature:

C₆H₁₀O₄S; With dilithium tetrachlorocuprate; n-hexylmagnesium chloride; In tetrahydrofuran; at 20 ℃; for 1h;

With sulfuric acid; In tetrahydrofuran; water; for 12h;

DOI:10.1021/acs.orglett.6b01745

Reference yield:

C6H10O3S → hex-5-ene-1,2-diol (36842-44-1) + dihexyl sulphoxide (2180-20-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium periodate; ruthenium(III) chloride trihydrate / water; acetonitrile / 1 h

2.1: n-hexylmagnesium chloride; dilithium tetrachlorocuprate / tetrahydrofuran / 1 h / 20 °C

2.2: 12 h

With sodium periodate; dilithium tetrachlorocuprate; ruthenium(III) chloride trihydrate; n-hexylmagnesium chloride; In tetrahydrofuran; water; acetonitrile;

DOI:10.1021/acs.orglett.6b01745

Reference yield:

hexyl sulfide (6294-31-1) → dihexyl sulphoxide (2180-20-3) + 1-(hexylsulfonyl)hexane (16823-61-3)

Guidance literature:

With oxygen; titanium(IV) oxide; In acetonitrile; Rate constant; Product distribution; Irradiation;

DOI:10.1016/S0040-4039(00)94234-5

upstream raw materials:

hexyl sulfide

Downstream raw materials:

hexyl sulfide

2-ethyl-1,1'-biphenyl

((hexylthio)methyl)benzene

dihexyl disulfide

Refernces

• 1、 Davidson, R. Stephen,Pratt, Julie E.. "The Titanium Dioxide Sensitised Photo-Oxidation of Sulphides". . p. 5903 - 5906. Retrieved 2007/10/02.