16-methylheptadecyl (E)-docos-13-enoate

Base Information

• Chemical Name: 16-methylheptadecyl (E)-docos-13-enoate
• CAS No.: 97259-85-3
• Molecular Formula: C40H78 O2
• Molecular Weight: 591.04612
• European Community (EC) Number: 306-449-1
• Mol file: 97259-85-3.mol

Synonyms:16-methylheptadecyl (E)-docos-13-enoate;97259-85-3

Chemical Property of 16-methylheptadecyl (E)-docos-13-enoate

Chemical Property:

• Vapor Pressure: 1.53E-15mmHg at 25°C
• Boiling Point: 625°Cat760mmHg
• Flash Point: 29.6°C
• PSA: 26.30000
• Density: 0.861g/cm³
• LogP: 14.24490
• XLogP3: 18.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 36
• Exact Mass: 590.60018173
• Heavy Atom Count: 42
• Complexity: 538

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C
• Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C