6,8-Nonadien-3-one, 2,4,4,7-tetramethyl-

Base Information

• Chemical Name: 6,8-Nonadien-3-one, 2,4,4,7-tetramethyl-
• CAS No.: 81782-89-0
• Molecular Formula: C13H22 O
• Molecular Weight: 194.31318
• European Community (EC) Number: 279-816-6
• DSSTox Substance ID: DTXSID3072874
• Nikkaji Number: J296.117B
• Mol file: 81782-89-0.mol

Synonyms:81782-89-0;2,4,4,7-Tetramethylnona-6,8-dien-3-one;6,8-Nonadien-3-one, 2,4,4,7-tetramethyl-;EINECS 279-816-6;SCHEMBL2250239;DTXSID3072874;2,4,4,7-Tetramethyl-6,8-nonadien-3-one;2,4,4,7 - tetramethylnona - 6,8 - dien - 3 - one

Chemical Property of 6,8-Nonadien-3-one, 2,4,4,7-tetramethyl-

Chemical Property:

• Vapor Pressure: 0.00976mmHg at 25°C
• Boiling Point: 264.3°C at 760 mmHg
• Flash Point: 94.2°C
• PSA: 0.00000
• Density: 0.847g/cm³
• LogP: 0.00000
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 194.167065321
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

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

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