Cornudentanone

Base Information

• Chemical Name: Cornudentanone
• CAS No.: 110979-06-1
• Molecular Formula: C22H34 O5
• Molecular Weight: 378.5024
• DSSTox Substance ID: DTXSID30331930
• Wikidata: Q27106228
• Metabolomics Workbench ID: 69432
• Mol file: 110979-06-1.mol

Synonyms:Cornudentanone;AC1L9DBE;C10320;110979-06-1;1-(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)tridecan-2-yl acetate;1-[(5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]dodecyl acetate;CHEBI:3885;DTXSID30331930;LMFA07010822;Q27106228

Chemical Property of Cornudentanone

Chemical Property:

• Vapor Pressure: 1.02E-09mmHg at 25°C
• Boiling Point: 489.1°Cat760mmHg
• Flash Point: 209.3°C
• PSA: 69.67000
• Density: 1.04g/cm³
• LogP: 4.83760
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 15
• Exact Mass: 378.24062418
• Heavy Atom Count: 27
• Complexity: 559

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(CC1=CC(=O)C=C(C1=O)OC)OC(=O)C