1-(2,6,6-Trimethylcyclohex-3-en-1-yl)pent-1-en-3-one

Base Information

• Chemical Name: 1-(2,6,6-Trimethylcyclohex-3-en-1-yl)pent-1-en-3-one
• CAS No.: 7784-98-7
• Molecular Formula: C14H22 O
• Molecular Weight: 206.32388
• DSSTox Substance ID: DTXSID20864126
• Mol file: 7784-98-7.mol

Synonyms:DTXSID20864126

Chemical Property of 1-(2,6,6-Trimethylcyclohex-3-en-1-yl)pent-1-en-3-one

Chemical Property:

• Vapor Pressure: 0.00278mmHg at 25°C
• Boiling Point: 285.6°C at 760 mmHg
• Flash Point: 122.2°C
• PSA: 17.07000
• Density: 0.92g/cm³
• LogP: 3.76010
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 206.167065321
• Heavy Atom Count: 15
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C=CC1C(C=CCC1(C)C)C
• Description: Methyl-α-ionone has a light, warm, floral odor with a berry-like flavor.

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