Methyl 5-cyclohexyl-3-methyl-5-oxo-2-pentenoate

Base Information

• Chemical Name: Methyl 5-cyclohexyl-3-methyl-5-oxo-2-pentenoate
• CAS No.: 85650-93-7
• Molecular Formula: C13 H22 O3
• Molecular Weight: 224.2961
• European Community (EC) Number: 604-515-7
• DSSTox Substance ID: DTXSID50234914,DTXSID401241904
• Mol file: 85650-93-7.mol

Synonyms:DTXSID50234914;DTXSID401241904;Methyl 5-cyclohexyl-3-methyl-5-oxo-2-pentenoate;14619-59-1

Chemical Property of Methyl 5-cyclohexyl-3-methyl-5-oxo-2-pentenoate

Chemical Property:

• Vapor Pressure: 8.81E-05mmHg at 25°C
• Boiling Point: 340.1°C at 760 mmHg
• Flash Point: 148.1°C
• PSA: 43.37000
• Density: 1.032g/cm³
• LogP: 2.64520
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 224.14124450
• Heavy Atom Count: 16
• Complexity: 286

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(=CC(=O)OC)CC(=O)C1CCCCC1

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