2H-Pyran-2-one, 6-ethyl-3-(2-methylpropyl)-

Base Information

• Chemical Name: 2H-Pyran-2-one, 6-ethyl-3-(2-methylpropyl)-
• CAS No.: 17654-99-8
• Molecular Formula: C11H16 O2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID30938807
• Nikkaji Number: J13.357D
• Wikidata: Q75053303
• Metabolomics Workbench ID: 119073
• ChEMBL ID: CHEMBL3967990
• Mol file: 17654-99-8.mol

Synonyms:3-isobutyl-6-ethyl-alpha-pyrone;mucidone

Chemical Property of 2H-Pyran-2-one, 6-ethyl-3-(2-methylpropyl)-

Chemical Property:

• Vapor Pressure: 0.00184mmHg at 25°C
• Boiling Point: 292.4°C at 760 mmHg
• Flash Point: 118.4°C
• PSA: 0.00000
• Density: 0.973g/cm³
• LogP: 0.00000
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 259

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC=C(C(=O)O1)CC(C)C