3,3,5-Trimethyloxepan-2-one

Base Information

• Chemical Name: 3,3,5-Trimethyloxepan-2-one
• CAS No.: 56305-13-6
• Molecular Formula: C9H16 O2
• Molecular Weight: 156.22214
• European Community (EC) Number: 260-103-3
• DSSTox Substance ID: DTXSID80971744
• Nikkaji Number: J296.632H
• Mol file: 56305-13-6.mol

Synonyms:3,3,5-Trimethyloxepan-2-one;56305-13-6;EINECS 260-103-3;3,3,5-Trimethyl-2-oxepanone;SCHEMBL5521154;DTXSID80971744

Chemical Property of 3,3,5-Trimethyloxepan-2-one

Chemical Property:

• Vapor Pressure: 0.0642mmHg at 25°C
• Boiling Point: 230.9°C at 760 mmHg
• Flash Point: 87.6°C
• PSA: 26.30000
• Density: 0.918g/cm³
• LogP: 1.98570
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCOC(=O)C(C1)(C)C