Ethyl ethanesulfonate

Base Information

• Chemical Name: Ethyl ethanesulfonate
• CAS No.: 1912-30-7
• Molecular Formula: C4H10O3S
• Molecular Weight: 138.188
• Hs Code.: 2905199090
• European Community (EC) Number: 694-412-3
• UNII: DN6C5047SQ
• DSSTox Substance ID: DTXSID0073952
• Nikkaji Number: J78.116I
• Wikidata: Q27276493
• Mol file: 1912-30-7.mol

Synonyms:EES ester;ethanesulfonic acid ethyl ester;ethyl ethanesulfonate

Chemical Property of Ethyl ethanesulfonate

Chemical Property:

• Vapor Pressure: 0.106mmHg at 25°C
• Melting Point: 100-101 °C
• Refractive Index: 1.5151 (estimate)
• Boiling Point: 229.2°C at 760 mmHg
• Flash Point: 92.4°C
• PSA: 51.75000
• Density: 1.133g/cm³
• LogP: 1.45340
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 138.03506535
• Heavy Atom Count: 8
• Complexity: 130

Purity/Quality:

98%Min ^*data from raw suppliers

Ethyl ethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1748749
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOS(=O)(=O)CC
• Uses: Ethyl Ethanesulfonate is used as a reactant in stereoselective Friedel-Crafts alkylation reactions. Also used in the preparation of 1-alkyl-3-methylimidazolium alkanesulfonate ionic liquids.

Technology Process of Ethyl ethanesulfonate

There total 12 articles about Ethyl ethanesulfonate 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: 73.0%

ethanesulfonic acid (594-45-6) + orthoformic acid triethyl ester (122-51-0) → ethyl ethanesulfonate (1912-30-7)

Guidance literature:

for 14h; Ambient temperature;

Reference yield: 54.0%

ethanol (64-17-5) + Ethanesulfonyl chloride (594-44-5) → ethyl ethanesulfonate (1912-30-7)

Guidance literature:

With 2,6-dimethylpyridine; sulfuric acid; for 2.5h; Ambient temperature;

DOI:10.1248/cpb.32.1326

Reference yield: 39.0%

ethanesulfonic acid (594-45-6) + Diethyl carbonate (105-58-8,76619-83-5) → ethyl ethanesulfonate (1912-30-7)

Guidance literature:

In toluene; for 8h; Heating;

upstream raw materials:

tributyl-amine

diethyl sulphite

diethyl thiosulfinate

ethyl iodide

Downstream raw materials:

ethylbenzene

ethyl phenyl sulfone

ethanesulfonic acid

1-chloro-4-[(E)-2-ethoxysulfonylprop-1-enyl]benzene

Refernces

• 1、 Blesic, Marijana,Swadzba-Kwasny, Malgorzata,Belhocine, Tayeb,Gunaratne, H. Q. Nimal,Lopes, Jose N. Canongia,Gomes, Margarida F. Costa,Padua, Agilio A. H.,Seddon, Kenneth R.,Rebelo, Luis Paulo N.. "1-Alkyl-3-methylimidazolium alkanesulfonate ionic liquids, [C nH2n+1mim][CkH 2k+1SO3]: Synthesis and physicochemical properties". experimental part. p. 8939 - 8948. Retrieved 2010/06/20.
• 2、 Padmapriya, A. A.,Just, G.,Lewis, N. G.. "A NEW METHOD FOR THE ESTERIFICATION OF SULPHONIC ACIDS". . p. 1057 - 1062. Retrieved 2007/10/02.