3,5,6,6-Tetramethyl-4-methyleneheptan-2-one

Base Information

• Chemical Name: 3,5,6,6-Tetramethyl-4-methyleneheptan-2-one
• CAS No.: 81786-75-6
• Molecular Formula: C12H22 O
• Molecular Weight: 182.30248
• European Community (EC) Number: 279-825-5
• DSSTox Substance ID: DTXSID8052564
• Nikkaji Number: J296.125C
• Mol file: 81786-75-6.mol

Synonyms:3,5,6,6-Tetramethyl-4-methyleneheptan-2-one;81786-75-6;3,5,6,6-tetramethyl-4-methylideneheptan-2-one;EINECS 279-825-5;2-Heptanone, 3,5,6,6-tetramethyl-4-methylene-;SCHEMBL163144;DTXSID8052564;3,5,6,6-Tetramethyl-4-methylene-2-heptanone;3,5,6,6 - tetramethyl - 4 - methyleneheptan - 2 - one

Chemical Property of 3,5,6,6-Tetramethyl-4-methyleneheptan-2-one

Chemical Property:

• Vapor Pressure: 0.0638mmHg at 25°C
• Boiling Point: 231°C at 760 mmHg
• Flash Point: 79.1°C
• PSA: 17.07000
• Density: 0.83g/cm³
• LogP: 3.44990
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 182.167065321
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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