Octyl hydrogen sulfate

Base Information

• Chemical Name: Octyl hydrogen sulfate
• CAS No.: 110-11-2
• Molecular Formula: C8H18 O4 S
• Molecular Weight: 210.295
• Hs Code.: 2905199090
• European Community (EC) Number: 203-736-2
• DSSTox Substance ID: DTXSID7042433
• Nikkaji Number: J140.467I
• Wikidata: Q27156650
• ChEMBL ID: CHEMBL1208322
• Mol file: 110-11-2.mol

Synonyms:octyl hydrogen sulfate;110-11-2;Sulfuric acid, monooctyl ester;Octyl hydrogen sulphate;CHEBI:83122;EINECS 203-736-2;octylsulfat;OSF;(octyloxy)sulfonic acid;SCHEMBL148281;C8H18O4S;CHEMBL1208322;DTXSID7042433;Q27156650

Chemical Property of Octyl hydrogen sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 71.98000
• Density: 1.133g/cm³
• LogP: 3.24710
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 210.09258022
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOS(=O)(=O)O

Technology Process of Octyl hydrogen sulfate

There total 3 articles about Octyl 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:

octanol (111-87-5) → sulfuric acid monooctyl ester (110-11-2)

Guidance literature:

With sulfur trioxide; In 1,2-dichloro-ethane; at 25 ℃; Thermodynamic data; ΔH(formation of product);

Reference yield:

octanol (111-87-5) → sulfuric acid monooctyl ester (110-11-2)

Guidance literature:

Extrahieren mit Benzol;

Reference yield:

→ sulfuric acid monooctyl ester (110-11-2)

Guidance literature:

n-Octanol, H2SO4/SOCl2;

upstream raw materials:

octanol

Downstream raw materials:

n-octyl acetate

octanol

Refernces

• 1、 Chen, Guangping,Banoglu, Erden,Duffel, Michael W.. "Influence of substrate structure on the catalytic efficiency of hydroxysteroid sulfotransferase STa in the sulfation of alcohols". . p. 67 - 74. Retrieved 2007/10/03.
• 2、 Markitanova, L. I.,Barsukov, I. I.,Passet, B. V.. "DETERMINATION OF HEAT OF SULFATION BY CALORIMETRIC TITRATION". . p. 1286 - 1289. Retrieved 2007/10/02.