2-Ethylhexyl Sulfide

Base Information

• Chemical Name: 2-Ethylhexyl Sulfide
• CAS No.: 16679-04-2
• Molecular Formula: C16H34 S
• Molecular Weight: 258.512
• European Community (EC) Number: 654-930-2
• NSC Number: 141025
• DSSTox Substance ID: DTXSID40301088
• Mol file: 16679-04-2.mol

Synonyms:2-Ethylhexyl Sulfide;16679-04-2;Sulfide, bis(2-ethylhexyl);3-(2-ethylhexylsulfanylmethyl)heptane;bis(2-ethylhexyl)sulfane;Heptane, 3,3'-[thiobis(methylene)]bis-;bis(2-ethylhexyl) sulfide;NSC141025;di(2 ethylhexyl)thio;bis(2-ethylhexyl)sulfide;SCHEMBL258082;DTXSID40301088;UGASTCGQAJBUOO-UHFFFAOYSA-N;3-[(2-ethylhexylthio)methyl]heptane;Heptane,3'-[thiobis(methylene)]bis-;AKOS024332805;NSC-141025

Chemical Property of 2-Ethylhexyl Sulfide

Chemical Property:

• Vapor Pressure: 0.000626mmHg at 25°C
• Refractive Index: 1.4622 (589.3 nm 25℃)
• Boiling Point: 319.6°Cat760mmHg
• Flash Point: 153.9°C
• PSA: 25.30000
• Density: 0.841g/cm³
• LogP: 6.15240
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 258.23812226
• Heavy Atom Count: 17
• Complexity: 129

Purity/Quality:

98% ^*data from raw suppliers

2-ETHYLHEXYL SULFIDE AldrichCPR ^*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: CCCCC(CC)CSCC(CC)CCCC

Technology Process of 2-Ethylhexyl Sulfide

There total 3 articles about 2-Ethylhexyl 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:

2-iodo-1-thiocyanato-octane (83048-90-2) → bis(2-ethylhexyl)sulfide (16679-04-2) + bis-(2-ethyl-hexyl)-disulfane (79392-44-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 1h; Title compound not separated from byproducts;

Reference yield:

3-(chloromethyl)heptane (123-04-6) → bis(2-ethylhexyl)sulfide (16679-04-2)

Guidance literature:

With sodium sulfide; ethylene glycol; at 135 ℃;

DOI:10.1021/jo01102a610

Reference yield:

→ bis(2-ethylhexyl)sulfide (16679-04-2)

Guidance literature:

aus d. RCl, Na2S;

upstream raw materials:

3-(chloromethyl)heptane

2-iodo-1-thiocyanato-octane

Downstream raw materials:

di-2-ethylhexyl sulfoxide