Trimethylcyclohexanone

Base Information

• Chemical Name: Trimethylcyclohexanone
• CAS No.: 50874-76-5
• Molecular Formula: C9H16O
• Molecular Weight: 140.2227
• DSSTox Substance ID: DTXSID50965110
• Mol file: 50874-76-5.mol

Synonyms:3,3,5-trimethylcyclohexanone;trimethylcyclohexanone

Chemical Property of Trimethylcyclohexanone

Chemical Property:

• Vapor Pressure: 0.723mmHg at 25°C
• Boiling Point: 184.7°C at 760 mmHg
• Flash Point: 58.5°C
• Density: 0.869g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(=O)C1(C)C