Propanenitrile, 3-(octadecyloxy)-

Base Information

• Chemical Name: Propanenitrile, 3-(octadecyloxy)-
• CAS No.: 87470-41-5
• Molecular Formula: C20H39NO
• Molecular Weight: 323.563
• European Community (EC) Number: 694-847-9
• DSSTox Substance ID: DTXSID20888685
• Nikkaji Number: J27.780K
• Wikidata: Q82868389
• Mol file: 87470-41-5.mol

Synonyms:Propanenitrile, 3-(octadecyloxy)-;87470-41-5;3-(OCTADECYLOXY)PROPIONITRILE;3-(Octadecyloxy)propanenitrile;SCHEMBL6612881;DTXSID20888685;AKOS024333981

Chemical Property of Propanenitrile, 3-(octadecyloxy)-

Chemical Property:

• Vapor Pressure: 7.8E-07mmHg at 25°C
• Boiling Point: 407°C at 760 mmHg
• Flash Point: 170.9°C
• PSA: 33.02000
• Density: 0.863g/cm³
• LogP: 6.78808
• XLogP3: 8.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 19
• Exact Mass: 323.318814931
• Heavy Atom Count: 23
• Complexity: 256

Purity/Quality:

3-(OCTADECYLOXY)PROPIONITRILE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOCCC#N

Technology Process of Propanenitrile, 3-(octadecyloxy)-

There total 2 articles about Propanenitrile, 3-(octadecyloxy)- 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:

1-octadecanol (112-92-5) + acrylonitrile (107-13-1,25014-41-9) → octadecyloxypropionitrile (87470-41-5)

Guidance literature:

With potassium hydroxide; at 60 - 120 ℃; for 3h;

Reference yield:

→ octadecyloxypropionitrile (87470-41-5)

Guidance literature:

entspr. Methylester, NaOH;

DOI:10.1007/BF02533007

Reference yield:

octadecyloxypropionitrile (87470-41-5) → 3-Octadecyloxypropylamine (7617-75-6)

Guidance literature:

With sodium hydroxide; hydrogen; Raney type Ni-Al catalyst B-113W; In water; at 120 ℃; under 15001.5 Torr;

upstream raw materials:

1-octadecanol

acrylonitrile

Downstream raw materials:

3-Octadecyloxypropylamine