4,5,6,7,7-Pentamethyloct-4-en-3-one

Base Information

• Chemical Name: 4,5,6,7,7-Pentamethyloct-4-en-3-one
• CAS No.: 81786-78-9
• Molecular Formula: C13H24 O
• Molecular Weight: 196.32906
• European Community (EC) Number: 279-826-0
• Nikkaji Number: J296.126A
• Mol file: 81786-78-9.mol

Synonyms:4,5,6,7,7-Pentamethyloct-4-en-3-one;EINECS 279-826-0;81786-78-9;4,5,6,7,7-Pentamethyl-4-octen-3-one

Chemical Property of 4,5,6,7,7-Pentamethyloct-4-en-3-one

Chemical Property:

• Vapor Pressure: 0.00938mmHg at 25°C
• Boiling Point: 265°C at 760 mmHg
• Flash Point: 110.7°C
• PSA: 17.07000
• Density: 0.839g/cm³
• LogP: 3.98410
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 196.182715385
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(=C(C)C(C)C(C)(C)C)C
• Isomeric SMILES: CCC(=O)/C(=C(\C)/C(C)C(C)(C)C)/C