Ethyl sulfate

Base Information

• Chemical Name: Ethyl sulfate
• CAS No.: 540-82-9
• Deprecated CAS: 15066-87-2
• Molecular Formula: C2H6O4S
• Molecular Weight: 126.133
• Hs Code.: 2905199090
• European Community (EC) Number: 208-758-6
• UN Number: 2571
• UNII: P3LK0HF3B7
• DSSTox Substance ID: DTXSID10862151
• Nikkaji Number: J23.996H
• Wikipedia: Ethyl_sulfate
• Wikidata: Q116163
• Metabolomics Workbench ID: 44769
• Mol file: 540-82-9.mol

Synonyms:diethyl sulfate;diethyl sulfate, tin salt;diethylsulfate;ethyl sulfate

Chemical Property of Ethyl sulfate

Chemical Property:

• Appearance/Colour: colorless oily liquids
• Melting Point: -32°C (estimate)
• Refractive Index: 1.453
• Boiling Point: 280°C
• PKA: -3.14±0.15(Predicted)
• PSA: 71.98000
• Density: 1.458 g/cm³
• LogP: 0.90650
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 125.99867984
• Heavy Atom Count: 7
• Complexity: 117
• Transport DOT Label: Corrosive

Purity/Quality:

98%min ^*data from raw suppliers

ETHYL SULFATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOS(=O)(=O)O
• Uses: Ethyl hydrogen sulfate is used as an intermediate in the synthesis of ethanol from ethylene.

Technology Process of Ethyl sulfate

There total 33 articles about Ethyl sulfate 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: 83.0%

N-sulfonoxy-p-chloroacetanilide pyridinium salt (91631-54-8) → ethyl sulfate (540-82-9) + N-(4-chlorophenyl)-N-hydroxyacetamide (1503-91-9)

Guidance literature:

In ethanol; at 40 ℃;

DOI:10.1021/ja00331a036

Reference yield:

ethanol (64-17-5) → ethyl sulfate (540-82-9)

Guidance literature:

With sulphur monochloride;

DOI:10.1046/j.1365-2044.2003.03415_6.x

Reference yield:

diethyl sulfate (64-67-5) + 4-acetamino-2-amino-methoxyethoxybenzene + 2-chloro-4,6-dinitroaniline (3531-19-9) → ethyl sulfate (540-82-9)

Guidance literature:

In sulfuric acid; water;

upstream raw materials:

diethyl sulfate

ethanol

diethyl ether

ethene

Downstream raw materials:

ethyl acrylate

1,4-bisethylamino-anthraquinone

diethyl sulfate

ethyl chlorosulfate

Refernces

• 1、 Konnick, Michael M.,Bischof, Steven M.,Yousufuddin, Muhammed,Hashiguchi, Brian G.,Ess, Daniel H.,Periana, Roy A.. "A mechanistic change results in 100 times faster CH functionalization for ethane versus methane by a homogeneous Pt catalyst". . p. 10085 - 10094. Retrieved 2014.
• 2、 Turner. "-". . p. 887,888. Retrieved 1971.
• 3、 Batts. "". . p. 551,552. Retrieved 1966.
• 4、 Breslow et al.. "-". . p. 5361,5363. Retrieved 1954.
• 5、 Nasarowa,Zukerwanik. "-". . . Retrieved 1948.
• 6、 Butler,Dunnicliff. "-". . p. 652. Retrieved 1920.
• 7、 -. "Preparation method of ethyl glucuronide and ethyl sulfate of ethyl alcohol non-oxidative metabolite". Paragraph 0055-0071. . Retrieved 2020/06/09.
• 8、 Cox, Robin A.. "The decomposition of aliphatic N-nitro amines in aqueous sulfuric acid. Bisulfate as a nucleophile". . p. 1774 - 1778. Retrieved 2007/10/03.