3,7-Dimethylocta-2,6-dienenitrile

Base Information

Chemical Name:3,7-Dimethylocta-2,6-dienenitrile
CAS No.:5585-39-7
Deprecated CAS:80655-58-9,80748-12-5
Molecular Formula:C10H15 N
Molecular Weight:149.236
Hs Code.:
European Community (EC) Number:225-918-0,226-982-2
NSC Number:109052
UNII:W889CV0E9F
DSSTox Substance ID:DTXSID90884174
Nikkaji Number:J56.063D,J34.604G
Wikidata:Q27292453
Mol file:5585-39-7.mol

Synonyms:3,7-dimethyl-2,6-octadienenitrile;citralva;geranyl nitrile

Suppliers and Price of 3,7-Dimethylocta-2,6-dienenitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 9 raw suppliers

Chemical Property of 3,7-Dimethylocta-2,6-dienenitrile

Chemical Property:

Appearance/Colour:Colourless to pale yellow oily liquid
Refractive Index:n20/D 1.475(lit.)
Boiling Point:247.9°Cat760mmHg
Flash Point:103.7°C
PSA：23.79000
Density:0.858g/cm³
LogP:3.20268
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:149.120449483
Heavy Atom Count:11
Complexity:208

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s): Xn,N
Hazard Codes:Xn,N
Statements: 51/53-68
Safety Statements: 36/37-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCCC(=CC#N)C)C
Isomeric SMILES:CC(=CCC/C(=C/C#N)/C)C

Technology Process of 3,7-Dimethylocta-2,6-dienenitrile

There total 12 articles about 3,7-Dimethylocta-2,6-dienenitrile 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: 95.0%

: 6246-48-6,35278-77-4,36615-19-7
geranylamine

: 5585-39-7,80748-12-5
(E)-3,7-dimethylocta-2,6-dienenitrile

Guidance literature:: With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; C₆₃H₅₁N₂O₃P₂Ru⁽¹⁺⁾*ClO₄^(1-); oxygen; In toluene; at 90 ℃; for 20h; under 760.051 Torr;
DOI:10.1039/c6cc10200j