2-Butenoic acid, 2-cyclohexylethenyl ester

Base Information

• Chemical Name: 2-Butenoic acid, 2-cyclohexylethenyl ester
• CAS No.: 68039-68-9
• Molecular Formula: C12H18O2
• Molecular Weight: 194.27012
• European Community (EC) Number: 268-275-1
• DSSTox Substance ID: DTXSID3071018
• Nikkaji Number: J288.969B
• Mol file: 68039-68-9.mol

Synonyms:Hexahydrostyryl crotonate;2-Butenoic acid, 2-cyclohexylethenyl ester;68039-68-9;EINECS 268-275-1;2-Cyclohexylvinyl 2-butenoate;DTXSID3071018;2-Butenoic acid 2-cyclohexylethenyl ester

Chemical Property of 2-Butenoic acid, 2-cyclohexylethenyl ester

Chemical Property:

• Vapor Pressure: 0.00672mmHg at 25°C
• Boiling Point: 270.7°C at 760 mmHg
• Flash Point: 107.8°C
• PSA: 26.30000
• Density: 1.028g/cm³
• LogP: 3.19970
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

99% ^*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=CC1CCCCC1
• Isomeric SMILES: C/C=C/C(=O)O/C=C/C1CCCCC1

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