Apritone

Base Information

• Chemical Name: Apritone
• CAS No.: 68133-79-9
• Molecular Formula: C15H24 O
• Molecular Weight: 220.35
• European Community (EC) Number: 268-706-3
• UNII: 9S0375G501
• DSSTox Substance ID: DTXSID901202977
• Nikkaji Number: J334.055D,J3.504.178H
• Wikidata: Q27273005
• Metabolomics Workbench ID: 47253
• Mol file: 68133-79-9.mol

Synonyms:2-(3,7-dimethyl-2,6-octadienyl)cyclopentanone

Chemical Property of Apritone

Chemical Property:

• Appearance/Colour: solid or liquid
• Vapor Pressure: 0.00062mmHg at 25°C
• Refractive Index: 1.485
• Boiling Point: 309.9oC at 760 mmHg
• Flash Point: 127.1oC
• PSA: 17.07000
• Density: 0.911g/cm3
• LogP: 4.43840
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 220.182715385
• Heavy Atom Count: 16
• Complexity: 293

Purity/Quality:

99.9% ^*data from raw suppliers

APRITONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCC1CCCC1=O)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC1CCCC1=O)/C)C