Sulfonethylmethane

Base Information

• Chemical Name: Sulfonethylmethane
• CAS No.: 76-20-0
• Molecular Formula: C8H18 O4 S2
• Molecular Weight: 242.361
• European Community (EC) Number: 200-942-4
• NSC Number: 3994
• UNII: 217727W28W
• DSSTox Substance ID: DTXSID7046411
• Nikkaji Number: J2.403A
• Wikipedia: Trional
• Wikidata: Q7843147
• NCI Thesaurus Code: C74379
• ChEMBL ID: CHEMBL1990189
• Mol file: 76-20-0.mol

Synonyms:Sulfonethylmethane;Methylsulfonal;2,2-Bis(ethylsulfonyl)butane;TRIONAL;Methylsulphonal;Trionalon;Tional;76-20-0;Metilosulfonal;Sulfonethylmethanum;Diethylsulfonmethylethylmethane;Ethylsulfonal;Methylsulfonalum;2,2-Bis(ethylsulphonyl)butane;Sulphonethylmethane;Sulfonethylmethane [NF];NSC 3994;NSC-3994;EINECS 200-942-4;BRN 1785184;DEA No. 2605;DTXSID7046411;C8H18O4S2;Butane, 2,2-bis(ethylsulfonyl)-;UNII-217727W28W;NCGC00164518-01;217727W28W;3-01-00-02790 (Beilstein Handbook Reference);Methyl sulfonal;t i o n a l;SCHEMBL5624;Butane,2-bis(ethylsulfonyl)-;SULFONETHYLMETHANE [MI];METHYLSULFONAL [WHO-DD];CHEMBL1990189;DTXCID5026411;NSC3994;CHEBI:134987;WLN: WS2&X2&1&SW2;Tox21_112153;C8-H18-O4-S2;AKOS003245042;CAS-76-20-0;LS-45621;Q7843147

Chemical Property of Sulfonethylmethane

Chemical Property:

• Vapor Pressure: 1.13E-07mmHg at 25°C
• Melting Point: 74-76°
• Refractive Index: 1.4950 (estimate)
• Boiling Point: 444.4°C at 760 mmHg
• Flash Point: 283.2°C
• PSA: 85.04000
• Density: 1.195g/cm³
• LogP: 3.14360
• Water Solubility.: 5g/L(16 oC)
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 242.06465140
• Heavy Atom Count: 14
• Complexity: 333

Purity/Quality:

99%, ^*data from raw suppliers

2,2-BIS(ETHYLSULFONYL)BUTANE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A toxic chlorinated nitrogenous compound used as an insecticide. When mixed with Prolan, the product is called Dilan.
• Hazard Codes: A toxic chlorinated nitrogenous compound used as an insecticide. When mixed with Prolan, the product is called Dilan.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC

Technology Process of Sulfonethylmethane

There total 5 articles about Sulfonethylmethane 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:

2,2-bis-ethylsulfanyl-butane (7309-01-5) → trional (76-20-0)

Guidance literature:

With monoperoxyphthalic acid; In diethyl ether;

DOI:10.1039/j39680000753

Reference yield:

butanone (78-93-3) + ethanethiol (75-08-1) → trional (76-20-0)

Guidance literature:

With permanganate(VII) ion; und Oxydieren mit Permanganat;

Reference yield:

1,1-bis(ethanesulfonyl)ethane (32341-85-8) + ethyl iodide (75-03-6) → trional (76-20-0)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

1,1-bis(ethanesulfonyl)ethane

ethyl iodide

butanone

ethanethiol