3-(Decyloxy)propionitrile

Base Information

• Chemical Name: 3-(Decyloxy)propionitrile
• CAS No.: 16728-51-1
• Molecular Formula: C13H25 N O
• Molecular Weight: 211.348
• Hs Code.: 2926909090
• European Community (EC) Number: 240-790-6
• DSSTox Substance ID: DTXSID0066113
• Nikkaji Number: J27.782G
• Wikidata: Q81992692
• Mol file: 16728-51-1.mol

Synonyms:3-Decoxypropanenitrile;3-(Decyloxy)propionitrile;3-(Decyloxy)propiononitrile;16728-51-1;3-(decyloxy)propanenitrile;Propanenitrile, 3-(decyloxy)-;EINECS 240-790-6;SCHEMBL2879749;DTXSID0066113;AKOS024390801

Chemical Property of 3-(Decyloxy)propionitrile

Chemical Property:

• Vapor Pressure: 0.000301mmHg at 25°C
• Boiling Point: 321.3°C at 760 mmHg
• Flash Point: 135.6°C
• PSA: 33.02000
• Density: 0.87g/cm³
• LogP: 4.05738
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 211.193614421
• Heavy Atom Count: 15
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

3-(DECYLOXY)PROPANENITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCOCCC#N

Technology Process of 3-(Decyloxy)propionitrile

There total 3 articles about 3-(Decyloxy)propionitrile 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:

ethyl acetate n-hexane + 1-Decanol (112-30-1) + acrylonitrile (107-13-1,25014-41-9) → β-decyloxypropionitrile (16728-51-1)

Guidance literature:

In diethyl ether;

Reference yield:

1-Decanol (112-30-1) + acrylonitrile (107-13-1,25014-41-9) → β-decyloxypropionitrile (16728-51-1)

Guidance literature:

With sodium;

Reference yield:

→ β-decyloxypropionitrile (16728-51-1)

Guidance literature:

DOI:10.1007/BF02533007

upstream raw materials:

1-Decanol

acrylonitrile

Downstream raw materials:

γ-decyloxypropylamine

propylamine

1-Decanol