3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl isobutyrate

Base Information

• Chemical Name: 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl isobutyrate
• CAS No.: 68039-39-4
• Molecular Formula: C14H20O2
• Molecular Weight: 220.31
• European Community (EC) Number: 268-255-2
• DSSTox Substance ID: DTXSID0052386
• Nikkaji Number: J288.962E
• Mol file: 68039-39-4.mol

Synonyms:68039-39-4;3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl isobutyrate;EINECS 268-255-2;Tricyclo(5.2.1.02,6)dec-3-en-8-yl isobutyrate;8-tricyclo[5.2.1.02,6]dec-3-enyl 2-methylpropanoate;6-Butyroxy-3a,4,5,6,7,7a-hexahydro-4,7-methanoindene;Propanoic acid, 2-methyl-, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl ester;SCHEMBL3505602;DTXSID0052386;STK025748;AKOS005379557;W-111320;3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl 2-methylpropanoate;2-Methylpropanoic acid (3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden)-6-yl ester;3a,4,5,6,7,7a - hexahydro - 4,7 - methano - 1H - inden - 6 - yl isobutyrate;Propanoic acid,2-methyl-,3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-6-yl ester

Chemical Property of 3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl isobutyrate

Chemical Property:

• Vapor Pressure: 0.00244mmHg at 25°C
• Refractive Index: 1.524
• Boiling Point: 287.7 °C at 760 mmHg
• Flash Point: 120.1 °C
• PSA: 64.63000
• Density: 1.08 g/cm³
• LogP: 1.61180
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 220.146329876
• Heavy Atom Count: 16
• Complexity: 332

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)OC1CC2CC1C3C2C=CC3