5-Oxo-2-propylhexanoic acid

Base Information

• Chemical Name: 5-Oxo-2-propylhexanoic acid
• CAS No.: 10297-76-4
• Molecular Formula: C9H16O3
• Molecular Weight: 172.22200
• DSSTox Substance ID: DTXSID301310766
• Mol file: 10297-76-4.mol

Synonyms:5-Oxo-2-propylhexanoic acid;2-Propyl-5-oxohexanoic acid;5-Oxo-2-propylhexanoic acid #;SCHEMBL21629697;DTXSID301310766;STL563400;AKOS006275054;10297-76-4

Chemical Property of 5-Oxo-2-propylhexanoic acid

Chemical Property:

• Boiling Point: 151 - 154 °C (6 mmHg)
• PKA: 4.62±0.20(Predicted)
• PSA: 54.37000
• Density: 1.0206 g/cm3
• LogP: 1.85650
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

5-OXO-2-PROPYLHEXANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC(=O)C)C(=O)O

Technology Process of 5-Oxo-2-propylhexanoic acid

There total 1 articles about 5-Oxo-2-propylhexanoic acid 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:

→ 2-propyl-5-oxohexanoic acid (10297-76-4)

Guidance literature:

Ac(CH2)2C(Pr)(CO2Et)2 (I) (R = Pr) + NaOH/Δ.;