1,4-Oxathiane

Base Information

• Chemical Name: 1,4-Oxathiane
• CAS No.: 15980-15-1
• Molecular Formula: C4H8OS
• Molecular Weight: 104.173
• Hs Code.: 29349990
• European Community (EC) Number: 240-117-6
• NSC Number: 49179
• UNII: 2X66H33V2V
• DSSTox Substance ID: DTXSID0065985
• Nikkaji Number: J34.623C
• Wikipedia: 1,4-Oxathiane
• Wikidata: Q72498228
• Mol file: 15980-15-1.mol

Synonyms:1,4-thioxane

Chemical Property of 1,4-Oxathiane

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 5.65mmHg at 25°C
• Melting Point: -17°C
• Refractive Index: n20/D 1.5095(lit.)
• Boiling Point: 147.2 °C at 760 mmHg
• Flash Point: 55.6 °C
• PSA: 34.53000
• Density: 1.074 g/cm³
• LogP: 0.74980
• Storage Temp.: Flammables area
• Water Solubility.: Slightly soluble in water
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 104.02958605
• Heavy Atom Count: 6
• Complexity: 34.5

Purity/Quality:

98% ^*data from raw suppliers

1,4-Oxathiane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-27-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CSCCO1
• Uses: 1,4-Oxathiane is a useful reactant and reagent for organic reactions. It has been used as an oxygen donor adduct to study the growth of ZnO nanowires through chemical vapour deposition. 1,4-Thioxane (1,4-oxathiane) was used to study the growth and characterization of the vertically aligned zinc oxide (ZnO) nanowires.

Technology Process of 1,4-Oxathiane

There total 29 articles about 1,4-Oxathiane 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%

2,2'-thiobis-ethanol (111-48-8) → 1,4-Oxathiane (15980-15-1)

Guidance literature:

With copper(ll) bromide; at 175 ℃; for 4h; Inert atmosphere; Sealed tube;

DOI:10.1134/S1070428017120090

Reference yield: 60.0%

(Pt(1,4-thioxane)3Cl)(BPh4) (148573-81-3) → 1,4-Oxathiane (15980-15-1) + trans-(Pt(1,4-thioxane)2ClPh) + triphenylborane (960-71-4)

Guidance literature:

In nitromethane; heat treatment in boiling nitromethane; elem. anal.;

Reference yield: 25.0%

polymer: monomers(s): bis(β-chloroethyl) ether; sulfur → 1,4-Oxathiane (15980-15-1) + bis(2-mercaptoethyl)ether (2150-02-9)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; at 80 - 90 ℃; for 3h;

DOI:10.1023/A:1015425702523

upstream raw materials:

oxirane

2,2'-thiobis-ethanol

mustard chlorohydrin

ethanol

Downstream raw materials:

1-naphthalenesulfonic acid

2,3-dichloro-[1,4]oxathiane

1,4-oxathiane-4,4-dioxide

5,6-dihydro-1,4-oxathiine

Refernces

• 1、 Jung, Hyunsook,Lee, Hae Wan,Jeong, Eun Ah. "Enhanced thermal degradation of 2,2′-dichlorodiethyl sulfide (sulfur mustard, HD) with the presence of metal oxides". . p. 1137 - 1141. Retrieved 2016.
• 2、 Fridkin, Gil,Columbus, Ishay,Yehezkel, Lea,Zafrani, Yossi. "Degradation of Sulfur Mustard on KF/Al2O3: The Role of Organic Solvents and Active Species". . p. 10541 - 10545. Retrieved 2018/07/25.
• 3、 Bayguzina,Gimaletdinova,Khusnutdinov. "Synthesis of cyclic ethers from diols in the presence of copper catalysts". . p. 1840 - 1843. Retrieved 2018/02/06.