Diethyldimethylcyclohex-2-en-1-one

Base Information

• Chemical Name: Diethyldimethylcyclohex-2-en-1-one
• CAS No.: 68845-36-3
• Molecular Formula: C12H20 O
• Molecular Weight: 180.2866
• European Community (EC) Number: 272-462-3
• DSSTox Substance ID: DTXSID9052424
• Mol file: 68845-36-3.mol

Synonyms:Diethyldimethylcyclohex-2-en-1-one;68845-36-3;3,4-diethyl-2,5-dimethylcyclohex-2-en-1-one;2-Cyclohexen-1-one, diethyldimethyl-;Diethyldimethyl-2-cyclohexenone;SCHEMBL3506420;DTXSID9052424;EINECS 272-462-3

Chemical Property of Diethyldimethylcyclohex-2-en-1-one

Chemical Property:

• Appearance/Colour: colorless clear liquid
• Vapor Pressure: 0.0142mmHg at 25°C
• Boiling Point: 257.9 °C at 760 mmHg
• Flash Point: 111.3 °C
• PSA: 17.07000
• Density: 0.869 g/cm³
• LogP: 3.49210
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 180.151415257
• Heavy Atom Count: 13
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

AZARBRE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(CC(=O)C(=C1CC)C)C

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