Ethyl octyl sulfide

Base Information

• Chemical Name: Ethyl octyl sulfide
• CAS No.: 3698-94-0
• Molecular Formula: C10H22S
• Molecular Weight: 174.351
• Hs Code.: 2930909090
• European Community (EC) Number: 653-186-6
• UNII: JOZ6D7U0VL
• DSSTox Substance ID: DTXSID4044662
• Nikkaji Number: J341.520A
• Wikidata: Q27281617
• ChEMBL ID: CHEMBL3186809
• Mol file: 3698-94-0.mol

Synonyms:Ethyl octyl sulfide;3698-94-0;Octane, 1-(ethylthio)-;1-ethylsulfanyloctane;3-Thiaundecane;ethyl n-octyl sulfide;1-(ethylsulfanyl)octane;UNII-JOZ6D7U0VL;JOZ6D7U0VL;DTXSID4044662;ETHYL N-OCTYL SULPHIDE;Octylethyl sulfide;ethyl(octyl)sulfane;ethyl octyl sulphide;Octano, 1-(etiltio)-;SULFIDE, ETHYL OCTYL;ETHYL 1-OCTYL SULFIDE;SCHEMBL200334;CHEMBL3186809;DTXCID2024662;Tox21_301893;AKOS024334033;NCGC00256022-01;CAS-3698-94-0;J341.520A;FT-0605827;Q27281617

Chemical Property of Ethyl octyl sulfide

Chemical Property:

• Vapor Pressure: 0.108mmHg at 25°C
• Melting Point: -53.83°C (estimate)
• Refractive Index: 1.455
• Boiling Point: 228.9 °C at 760 mmHg
• Flash Point: 97.3 °C
• PSA: 25.30000
• Density: 0.839 g/cm³
• LogP: 4.10000
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 174.14422188
• Heavy Atom Count: 11
• Complexity: 61.9

Purity/Quality:

99% ^*data from raw suppliers

ETHYL OCTYL SULFIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCSCC

Technology Process of Ethyl octyl sulfide

There total 2 articles about Ethyl octyl sulfide 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:

di-n-octyl sulfide (2690-08-6) → octane (111-65-9) + n-heptane (142-82-5) + Octanethiol (111-88-6) + methyl octyl sulfide (3698-95-1) + ethyl octyl sulfide (3698-94-0) + 1-Propylsulfanyl-octane (3698-93-9)

Guidance literature:

under 1 Torr; Product distribution; plasma desulfurization: 10-100 W, product yield with addition of O₂;

Reference yield:

C10H21S → ethene (74-85-1) + ethyl octyl sulfide (3698-94-0) + octanethiyl radical (142743-96-2)

Guidance literature:

With tris-(trimethylsilyl)silane; In toluene; at -70.16 ℃; Further Variations:; Temperatures; Kinetics;

DOI:10.1021/ja027428d

upstream raw materials:

di-n-octyl sulfide

Refernces

• 1、 Suhr, Harald,Henne, Peter,Iacocca, Diodoro,Ropero, Marcos J.. "Desulfuration Using Plasma Techniques, III. - Reaction of Thioethers". . p. 441 - 446. Retrieved 2007/10/02.