2-Ethylhexyl hydrogen sulfate

Base Information

• Chemical Name: 2-Ethylhexyl hydrogen sulfate
• CAS No.: 72214-01-8
• Molecular Formula: C8H18 O4 S
• Molecular Weight: 210.295
• European Community (EC) Number: 615-733-7
• UNII: 8NX2133F3J
• DSSTox Substance ID: DTXSID7047988
• Nikkaji Number: J24.032J
• Wikidata: Q27160059
• Metabolomics Workbench ID: 46020
• ChEMBL ID: CHEMBL2111178
• Mol file: 72214-01-8.mol

Synonyms:2-Ethylhexyl hydrogen sulfate;2-Ethylhexyl sulfate;72214-01-8;2-Ethyl-1-hexanol sulfate;[(2-ethylhexyl)oxy]sulfonic acid;Sulfuric acid, mono(2-ethylhexyl)ester;BRN 1707369;Sulfuric acid, mono(2-ethylhexyl) ester;UNII-8NX2133F3J;CHEBI:88117;8NX2133F3J;3-01-00-01733 (Beilstein Handbook Reference);Ethasulfuric Acid;ETASULFATE;ETHASULFATE;2-ethylhexanol sulfate;2-Ethylhexylhydrogensulfate;EMPICOL 0585A;ETASULFATE [WHO-DD];SURFARON A 6008;2-ETHYLHEXYL BISULFATE;SCHEMBL188420;2-ethylhexyl hydrogen sulphate;1-Hexanesulfonic acid,2-ethyl-;CHEMBL2111178;DTXSID7047988;Sulfuric acid,mono(2-ethylhexyl)ester;Sulfuric acid hydrogen 2-ethylhexyl ester;LS-148229;Q27160059

Chemical Property of 2-Ethylhexyl hydrogen sulfate

Chemical Property:

• Appearance/Colour: Yellowish to yellow liquid
• Melting Point: -79.7°C (estimate)
• Refractive Index: 1.4192 (estimate)
• Boiling Point: 299.82°C (rough estimate)
• PKA: -3.34±0.18(Predicted)
• PSA: 71.98000
• Density: 1.05-1.12
• LogP: 3.10300
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 210.09258022
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

99%, ^*data from raw suppliers

2-ETHYLHEXYSULPHATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COS(=O)(=O)O

Technology Process of 2-Ethylhexyl hydrogen sulfate

There total 2 articles about 2-Ethylhexyl hydrogen 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: 64.0%

2-Ethylhexyl alcohol (104-76-7) → 2-ethylhexyl sulfate (72214-01-8)

Guidance literature:

With pyridine; sulfur trioxide pyridine complex; at 20 ℃; for 24h;

Reference yield:

→ 2-ethylhexyl sulfate (72214-01-8) + 2-Ethylhexyl alcohol (104-76-7)

Guidance literature:

upstream raw materials:

2-Ethylhexyl alcohol

Refernces

• 1、 -. "Process for the manufacture of 2-ethylhexyl acrylate". . . Retrieved 2008/06/13.