4-Mercapto-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one

Base Information

• Chemical Name: 4-Mercapto-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one
• CAS No.: 40790-02-1
• Molecular Formula: C13H22 O S
• Molecular Weight: 226.37818
• European Community (EC) Number: 255-083-8
• DSSTox Substance ID: DTXSID40961207
• Nikkaji Number: J294.763C
• Mol file: 40790-02-1.mol

Synonyms:40790-02-1;EINECS 255-083-8;4-Mercapto-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one;C13H22OS;DTXSID40961207;4-Mercapto-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butanone;4-SULFANYL-4-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUTAN-2-ONE

Chemical Property of 4-Mercapto-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one

Chemical Property:

• Vapor Pressure: 0.0014mmHg at 25°C
• Boiling Point: 296.8°Cat760mmHg
• Flash Point: 133.3°C
• PSA: 55.87000
• Density: 0.967g/cm³
• LogP: 3.79050
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.13913649
• Heavy Atom Count: 15
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(CCC1)(C)C)C(CC(=O)C)S

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