2-(Methylthio)ethanol

Base Information

• Chemical Name: 2-(Methylthio)ethanol
• CAS No.: 5271-38-5
• Molecular Formula: C3H8OS
• Molecular Weight: 92.1619
• Hs Code.: 29309090
• European Community (EC) Number: 226-090-3
• NSC Number: 1902
• UNII: 5K6TOE95UY
• DSSTox Substance ID: DTXSID90200678
• Nikkaji Number: J25.044I
• Wikidata: Q27132867
• Metabolomics Workbench ID: 45514
• ChEMBL ID: CHEMBL277871
• Mol file: 5271-38-5.mol

Synonyms:methylthioethanol

Chemical Property of 2-(Methylthio)ethanol

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 0.483mmHg at 25°C
• Refractive Index: n20/D 1.4930(lit.)
• Boiling Point: 170 °C at 760 mmHg
• PKA: 14.36±0.10(Predicted)
• Flash Point: 70 °C
• PSA: 45.53000
• Density: 1.029 g/cm³
• LogP: 0.34170
• Storage Temp.: Store below +30°C.
• Water Solubility.: Not miscible in water.
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 92.02958605
• Heavy Atom Count: 5
• Complexity: 16.4

Purity/Quality:

99% ^*data from raw suppliers

2-Methylmercaptoethanol ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 23-24/25-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CSCCO
• Uses: 2-(Methylthio)ethanol is used as an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.

Technology Process of 2-(Methylthio)ethanol

There total 32 articles about 2-(Methylthio)ethanol 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: 99.0%

oxirane (75-21-8,99932-75-9) + methylthiol (74-93-1) → 2-methylmercapto-ethanol (5271-38-5)

Guidance literature:

With potassium hydroxide; In ethanol; at 80 ℃; for 3h; sealed tube;

DOI:10.1134/S1070427211040136

Reference yield: 92.0%

methyl 2-(methylthio)acetate (16630-66-3) → 2-methylmercapto-ethanol (5271-38-5)

Guidance literature:

With methanol; sodium tetrahydroborate; In diethyl ether; at 20 ℃; for 0.166667h;

DOI:10.1016/S0040-4039(00)00943-6

Reference yield: 88.0%

2-hydroxyethyl methyl sulfoxide (21281-74-3) → 2-methylmercapto-ethanol (5271-38-5)

Guidance literature:

With silica*PSCl₃; In acetonitrile; at 20 ℃; for 2h;

DOI:10.1080/00397910701572753

upstream raw materials:

oxirane

methylthiol

methylene chloride

sodium 2-mercaptoethanol

Downstream raw materials:

4'-[2-Methyl-4-(2-methylsulfanyl-ethoxy)-6-propyl-pyrimidin-5-ylmethyl]-biphenyl-2-carbonitrile

4'-{{4-butyl-2-methyl-6-[2-(methylthio)ethoxy]pyrimidin-5-yl}methyl}-[1,1-biphenyl]-2-carbonitrile

2-hydroxyethyl methyl sulfoxide

3-(2-methylsulfanyl-ethoxy)-benzaldehyde

Refernces

• 1、 Tuzhikov,Khokhlova,Zotov,Orlova. "Development of technique for synthesis of methyl(β-oxyethyl) sulfide by the reaction of ethylene oxide with methyl mercaptan". . p. 632 - 639. Retrieved 2011.
• 2、 Sedaghat-Herati, M. R.,Harris, J. M.,McManus, S. P.. "Solvent Influences on Initial and Transition States in Solvolysis of 2-Chloroethyl Methyl Sulfide". . p. 7479 - 7488. Retrieved 1988.
• 3、 -. "hydrogen fluorine ether sulphone class compound and its preparation method, the electrolyte of the lithium battery (by machine translation)". Paragraph 0069. . Retrieved 2017/03/28.