2-Oxophytanic acid

Base Information

• Chemical Name: 2-Oxophytanic acid
• CAS No.: 22008-47-5
• Molecular Formula: C20H38 O3
• Molecular Weight: 326.51392
• DSSTox Substance ID: DTXSID60944613
• Wikidata: Q27102865
• Metabolomics Workbench ID: 75230
• Mol file: 22008-47-5.mol

Synonyms:2-oxophytanic acid

Chemical Property of 2-Oxophytanic acid

Chemical Property:

• Vapor Pressure: 6.56E-08mmHg at 25°C
• Refractive Index: 1.458
• Boiling Point: 411.1°Cat760mmHg
• Flash Point: 216.6°C
• PSA: 54.37000
• Density: 0.927g/cm³
• LogP: 5.71530
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 326.28209507
• Heavy Atom Count: 23
• Complexity: 336

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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