Methyl octyl sulfide

Base Information

• Chemical Name: Methyl octyl sulfide
• CAS No.: 3698-95-1
• Molecular Formula: C9H20S
• Molecular Weight: 160.324
• Hs Code.: 2930909090
• European Community (EC) Number: 223-029-2
• UNII: L68L019D9G
• DSSTox Substance ID: DTXSID00190470
• Nikkaji Number: J60.722C
• Wikidata: Q27282764
• Mol file: 3698-95-1.mol

Synonyms:Methyl n-octyl sulfide;methyl octyl sulfide;3698-95-1;1-methylsulfanyloctane;Octane, 1-(methylthio)-;Octyl methyl sulfide;Methyl octyl sulphide;2-Thiadecane;methyl(octyl)sulfane;Sulfide, methyl octyl;n-octyl methyl sulfide;UNII-L68L019D9G;L68L019D9G;EINECS 223-029-2;methylthio-octane;Methyl n-octyl sulphide;(METHYLTHIO)OCTANE;1-METHYLTHIOOCTANE;1-(Methylsulfanyl)octane #;SCHEMBL200481;FEMA NO. 4573;DTXSID00190470;1-(Methylsulfanyl)octane AldrichCPR;MFCD00039990;1-(Methylsulfanyl)octane, AldrichCPR;AKOS015897464;CS-0451724;FT-0628761;M0379;D91326;Q27282764

Chemical Property of Methyl octyl sulfide

Chemical Property:

• Vapor Pressure: 0.194mmHg at 25°C
• Melting Point: -47.39°C (estimate)
• Refractive Index: 1.454
• Boiling Point: 217.6 °C at 760 mmHg
• Flash Point: 89.2 °C
• PSA: 25.30000
• Density: 0.839 g/cm³
• LogP: 3.70990
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 160.12857181
• Heavy Atom Count: 10
• Complexity: 52.7

Purity/Quality:

98% ^*data from raw suppliers

Methyl n-Octyl Sulfide ^*data from reagent suppliers

Safty Information:

• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CCCCCCCCSC

Technology Process of Methyl octyl sulfide

There total 40 articles about Methyl 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: 100.0%

n-octyl methanesulfonate (16156-52-8) + S,S-dimethyl dithiocarbonate (868-84-8) → methyl octyl sulfide (3698-95-1)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; for 0.25h; Heating;

DOI:10.1055/s-1983-30450

Reference yield: 100.0%

S,S-dimethyl dithiocarbonate (868-84-8) + n-chlorooctane (111-85-3) → methyl octyl sulfide (3698-95-1)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; for 0.75h; Heating;

DOI:10.1055/s-1983-30450

Reference yield: 100.0%

S,S-dimethyl dithiocarbonate (868-84-8) + 1-Iodooctane (629-27-6) → methyl octyl sulfide (3698-95-1)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; for 0.25h; Heating;

DOI:10.1055/s-1983-30450

upstream raw materials:

methanol

dithiophosphoric acid O,O'-diethyl ester S-octyl ester

sodium methylate

n-chlorooctane

Downstream raw materials:

methyl n-octylsulfoxide

3-(octylthio)-1,1,1-trifluoropropan-2-one

1-(2-fluorophenyl)-1-(4-fluorophenyl)ethylene oxide

(+)-n-octyl methyl sulfoxide

Refernces

• 1、 Pan, Ling,Shimakoshi, Hisashi,Hisaeda, Yoshio. "Electrochemical methyl-transfer reaction to alkylthiol catalyzed by hydrophobic vitamin B12". . p. 26 - 27. Retrieved 2009.
• 2、 -. "Synthesizing process of flutriafol key intermediate 1-(2-fluorophenyl)-1-(4-fluorophenyl)ethylene oxide". Paragraph 0013; 0014. . Retrieved 2019/02/25.
• 3、 Teders, Michael,Henkel, Christian,Anh?user, Lea,Strieth-Kalthoff, Felix,Gómez-Suárez, Adrián,Kleinmans, Roman,Kahnt, Axel,Rentmeister, Andrea,Guldi, Dirk,Glorius, Frank. "The energy-transfer-enabled biocompatible disulfide–ene reaction". . p. 981 - 988. Retrieved 2018/08/31.