1,5-Octadien-3-one

Base Information

• Chemical Name: 1,5-Octadien-3-one
• CAS No.: 65213-86-7
• Molecular Formula: C8H12 O
• Molecular Weight: 124.18
• European Community (EC) Number: 639-602-9
• Wikidata: Q76304646
• Metabolomics Workbench ID: 45532
• Mol file: 65213-86-7.mol

Synonyms:1,5-Octadien-3-one;65213-86-7;(5E)-octa-1,5-dien-3-one;(E)-1,5-octadien-3-one;SCHEMBL422838;VWYBQOFZVSNDAW-AATRIKPKSA-N

Chemical Property of 1,5-Octadien-3-one

Chemical Property:

• Boiling Point: 169.1±19.0 °C(Predicted)
• PSA: 17.07000
• Density: 0.848±0.06 g/cm3(Predicted)
• LogP: 2.09780
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 123

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCC(=O)C=C
• Isomeric SMILES: CC/C=C/CC(=O)C=C