4-Cycloocten-1-yl butyrate

Base Information

• Chemical Name: 4-Cycloocten-1-yl butyrate
• CAS No.: 94139-01-2
• Molecular Formula: C12H20 O2
• Molecular Weight: 196.286
• European Community (EC) Number: 303-015-3
• DSSTox Substance ID: DTXSID101310396
• Nikkaji Number: J368.357E
• Mol file: 94139-01-2.mol

Synonyms:4-Cycloocten-1-yl butyrate;94139-01-2;EINECS 303-015-3;4-Cycloocten-1-yl butanoate;DTXSID101310396;Butyric acid 4-cycloocten-1-yl ester;Butanoic acid, 4-cycloocten-1-yl ester

Chemical Property of 4-Cycloocten-1-yl butyrate

Chemical Property:

• Vapor Pressure: 0.0128mmHg at 25°C
• Boiling Point: 259.7°Cat760mmHg
• Flash Point: 102.5°C
• PSA: 26.30000
• Density: 0.95g/cm³
• LogP: 3.21860
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 196.146329876
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1CCCC=CCC1
• Isomeric SMILES: CCCC(=O)OC1CCC/C=C\CC1