2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-

Base Information

• Chemical Name: 2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-
• CAS No.: 72894-08-7
• Molecular Formula: C₁₁H₂₀S
• Molecular Weight: 184.346
• DSSTox Substance ID: DTXSID00888229
• Nikkaji Number: J447.237C
• Mol file: 72894-08-7.mol

Synonyms:72894-08-7;2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-;2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (Z)-;C11H20S;C11-H20-S;SCHEMBL8070596;DTXSID00888229;(2Z)-3,7-Dimethyl-1-(methylthio)-2,6-octadiene

Chemical Property of 2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-

Chemical Property:

• Vapor Pressure: 0.022mmHg at 25°C
• Boiling Point: 258.6°Cat760mmHg
• Flash Point: 99.3°C
• PSA: 25.30000
• Density: 0.874g/cm³
• LogP: 4.04210
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 184.12857181
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCCC(=CCSC)C)C
• Isomeric SMILES: CC(=CCC/C(=C\CSC)/C)C

Technology Process of 2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-

There total 3 articles about 2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)- 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:

Methyl-(3-methyl-but-2-enyl)-(3-methyl-but-3-enyl)-sulfonium; perchlorate → 2-Methyl-6-methylene-8-methylsulfanyl-oct-2-ene (100669-07-6) + (Z)-2,6-Dimethyl-8-methylsulfanyl-octa-2,5-diene (100669-09-8) + (Z)-3,7-Dimethyl-1-methylsulfanyl-octa-2,6-diene (72894-08-7) + (E)-3,7-dimethyl-2,6-octadienyl methyl thioether (72927-81-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; at 70 ℃; for 20h; Yield given. Further byproducts given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)98366-7

Reference yield:

Methyl-(3-methyl-but-2-enyl)-(3-methyl-but-3-enyl)-sulfonium; perchlorate → 2-Methyl-6-methylene-8-methylsulfanyl-oct-2-ene (100669-07-6) + (E)-2,6-Dimethyl-8-methylsulfanyl-octa-2,5-diene (100669-08-7) + (Z)-3,7-Dimethyl-1-methylsulfanyl-octa-2,6-diene (72894-08-7) + (E)-3,7-dimethyl-2,6-octadienyl methyl thioether (72927-81-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; at 70 ℃; for 20h; Yield given. Further byproducts given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)98366-7

Reference yield:

Methyl-(3-methyl-but-2-enyl)-(3-methyl-but-3-enyl)-sulfonium; perchlorate → 2-Methyl-6-methylene-8-methylsulfanyl-oct-2-ene (100669-07-6) + (Z)-2,6-Dimethyl-8-methylsulfanyl-octa-2,5-diene (100669-09-8) + (E)-2,6-Dimethyl-8-methylsulfanyl-octa-2,5-diene (100669-08-7) + (Z)-3,7-Dimethyl-1-methylsulfanyl-octa-2,6-diene (72894-08-7) + (E)-3,7-dimethyl-2,6-octadienyl methyl thioether (72927-81-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; at 70 ℃; for 20h; Product distribution;

DOI:10.1016/S0040-4039(00)98366-7

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