CID 167657

Base Information

• Chemical Name: CID 167657
• CAS No.: 17463-28-4
• Molecular Formula: C12H27NO2
• Molecular Weight: 217.34828
• DSSTox Substance ID: DTXSID4066200
• Mol file: 17463-28-4.mol

Synonyms:17463-28-4;butan-1-amine;octanoic acid;SCHEMBL9615342;DTXSID4066200;BUTYLAMINE;CAPRYLIC ACID;C8H16O2.C4H11N;C8-H16-O2.C4-H11-N;Octanoic acid, compound with N-butylamine (1:1)

Chemical Property of CID 167657

Chemical Property:

• Vapor Pressure: 0.022mmHg at 25°C
• Boiling Point: 239.3°Cat760mmHg
• Flash Point: 107.4°C
• PSA: 63.32000
• Density: g/cm³
• LogP: 3.87700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 217.204179104
• Heavy Atom Count: 15
• Complexity: 102

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)O.CCCCN

Technology Process of CID 167657

There total 1 articles about CID 167657 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:

Octanoic acid (124-07-2) + N-butylamine (109-73-9,85404-21-3) → n-butylammonium octanoate (17463-28-4)

Guidance literature:

at 15 - 20 ℃; for 51h;

DOI:10.1016/j.carbpol.2016.01.069

upstream raw materials:

Octanoic acid

N-butylamine

Refernces