(Z,Z)-1-(acetoxy)-2-hydroxy-12,15-heneicosadien-4-one

Base Information

• Chemical Name: (Z,Z)-1-(acetoxy)-2-hydroxy-12,15-heneicosadien-4-one
• CAS No.: 60640-59-7
• Molecular Formula: C23H40 O4
• Molecular Weight: 380.5613
• DSSTox Substance ID: DTXSID601027122
• Nikkaji Number: J1.348.295K
• Wikipedia: Persin
• Wikidata: Q633921
• Metabolomics Workbench ID: 3105
• Mol file: 60640-59-7.mol

Synonyms:(Z,Z)-1-acetyloxy-2-hydroxy-12,15-heneicosadien-4-one;1-acetyloxy-2-hydroxy-12,15-heneicosadien-4-one;persin;persin, R-(Z,Z)-isomer;persin, S-(Z,Z)-isomer

Chemical Property of (Z,Z)-1-(acetoxy)-2-hydroxy-12,15-heneicosadien-4-one

Chemical Property:

• Vapor Pressure: 2.72E-12mmHg at 25°C
• Boiling Point: 504.5°C at 760 mmHg
• PKA: 13.34±0.20(Predicted)
• Flash Point: 160.4°C
• PSA: 63.60000
• Density: 0.966g/cm³
• LogP: 5.68310
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 19
• Exact Mass: 380.29265975
• Heavy Atom Count: 27
• Complexity: 426

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCC=CCCCCCCCC(=O)CC(COC(=O)C)O
• Isomeric SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)CC(COC(=O)C)O