1-[2-Methyl-5-(1-methylethyl)cyclohexyl]propan-1-one

Base Information

• Chemical Name: 1-[2-Methyl-5-(1-methylethyl)cyclohexyl]propan-1-one
• CAS No.: 71617-13-5
• Molecular Formula: C13H24 O
• Molecular Weight: 196.32906
• European Community (EC) Number: 275-705-1
• NSC Number: 46257
• DSSTox Substance ID: DTXSID90992182
• Nikkaji Number: J87.286E
• Mol file: 71617-13-5.mol

Synonyms:71617-13-5;EINECS 275-705-1;1-[2-METHYL-5-(1-METHYLETHYL)CYCLOHEXYL]PROPAN-1-ONE;1-(2-Methyl-5-(1-methylethyl)cyclohexyl)propan-1-one;NSC46257;DTXSID90992182;NSC-46257;AKOS015965113;1-[2-Methyl-5-(propan-2-yl)cyclohexyl]propan-1-one

Chemical Property of 1-[2-Methyl-5-(1-methylethyl)cyclohexyl]propan-1-one

Chemical Property:

• Vapor Pressure: 0.0159mmHg at 25°C
• Boiling Point: 255.9°C at 760 mmHg
• Flash Point: 120.8°C
• PSA: 17.07000
• Density: 0.867g/cm³
• LogP: 3.67390
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 196.182715385
• Heavy Atom Count: 14
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1CC(CCC1C)C(C)C