5,5,7-Trimethylocta-3,7-dien-2-one

Base Information

• Chemical Name: 5,5,7-Trimethylocta-3,7-dien-2-one
• CAS No.: 94021-45-1
• Molecular Formula: C11H18 O
• Molecular Weight: 166.26002
• European Community (EC) Number: 301-440-9
• Nikkaji Number: J367.929B
• Mol file: 94021-45-1.mol

Synonyms:5,5,7-Trimethylocta-3,7-dien-2-one;EINECS 301-440-9;94021-45-1;5,5,7-Trimethyl-3,7-octadien-2-one;3,7-Octadien-2-one, 5,5,7-trimethyl-

Chemical Property of 5,5,7-Trimethylocta-3,7-dien-2-one

Chemical Property:

• Vapor Pressure: 0.0448mmHg at 25°C
• Boiling Point: 237.4°Cat760mmHg
• Flash Point: 94.8°C
• PSA: 17.07000
• Density: 0.849g/cm³
• LogP: 3.12400
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 166.135765193
• Heavy Atom Count: 12
• Complexity: 209

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CC(C)(C)C=CC(=O)C
• Isomeric SMILES: CC(=C)CC(C)(C)/C=C/C(=O)C