[(E)-4-hexadecanoyloxybut-2-enyl] benzoate

Base Information

• Chemical Name: [(E)-4-hexadecanoyloxybut-2-enyl] benzoate
• CAS No.: 59863-55-7
• Molecular Formula: C27H42O4
• Molecular Weight: 430.62
• NSC Number: 274580
• DSSTox Substance ID: DTXSID80421875
• Wikidata: Q82233594
• Mol file: 59863-55-7.mol

Synonyms:NSC274580;59863-55-7;SCHEMBL11610331;DTXSID80421875;NSC-274580

Chemical Property of [(E)-4-hexadecanoyloxybut-2-enyl] benzoate

Chemical Property:

• Vapor Pressure: 3.78E-11mmHg at 25°C
• Boiling Point: 525.9°Cat760mmHg
• Flash Point: 252.6°C
• Density: 0.983g/cm³
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 430.30830982
• Heavy Atom Count: 31
• Complexity: 466

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC=CCOC(=O)C1=CC=CC=C1
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OC/C=C/COC(=O)C1=CC=CC=C1