Citronellyl nitrile

Base Information

• Chemical Name: Citronellyl nitrile
• CAS No.: 51566-62-2
• Molecular Formula: C10H17N
• Molecular Weight: 151.252
• Hs Code.: 2926.90
• European Community (EC) Number: 257-288-8
• UNII: GP9AT16H16
• DSSTox Substance ID: DTXSID7052155
• Nikkaji Number: J65.659C
• Mol file: 51566-62-2.mol

Synonyms:3,7-dimethyl-6-octenenitrile;citronellyl nitrile

Chemical Property of Citronellyl nitrile

Chemical Property:

• Appearance/Colour: Clear to pale yellow liquid
• Vapor Pressure: 0.0247mmHg at 25°C
• Melting Point: 15oC
• Refractive Index: 1.448 - 1.453
• Boiling Point: 248.1 °C at 760 mmHg
• Flash Point: 109.7 °C
• PSA: 23.79000
• Density: 0.836 g/cm³
• LogP: 3.28258
• Water Solubility.: 119mg/L at 20℃
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 151.136099547
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Citronellylnitrile,98-100%(GC),KOSHER 98-100%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC=C(C)C)CC#N
• Uses: Citronellyl Nitrile is used in preparation method of Cyano-modified organic Silicon synthetic leather coating.

Technology Process of Citronellyl nitrile

There total 18 articles about Citronellyl nitrile 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%

rac-E-3,7-dimethyloct-6-enaldehyde oxime (135500-74-2) → citronellylnitrile (51566-62-2)

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

DOI:10.1021/jo025960d

Reference yield: 99.0%

3,7-dimethyl-oct-6-enal (106-23-0,26489-02-1) → citronellylnitrile (51566-62-2)

Guidance literature:

With tin(II) chloride dihdyrate; hydroxylamine hydrochloride; sodium hydrogencarbonate; In acetonitrile; at 80 ℃; for 12h;

DOI:10.1016/j.tetlet.2016.11.034

Reference yield: 98.5%

geranonitrile (5146-66-7,80748-12-5) → citronellylnitrile (51566-62-2)

Guidance literature:

With hydrogen; In methanol; at 80 ℃; for 4h; under 7500.75 - 11251.1 Torr; Solvent; Reagent/catalyst; Temperature; Pressure;

upstream raw materials:

geranonitrile

3,7-dimethyl-oct-6-enal

rac-3,7-dimethyloct-6-enenitrile oxime

rac-E-3,7-dimethyloct-6-enaldehyde oxime