Ethyl 4,7-octadienoate

Base Information

• Chemical Name: Ethyl 4,7-octadienoate
• CAS No.: 72276-09-6
• Molecular Formula: C10H16 O2
• Molecular Weight: 168.23284
• European Community (EC) Number: 276-569-6
• DSSTox Substance ID: DTXSID0072560
• Nikkaji Number: J299.085G
• Wikidata: Q76304630
• Metabolomics Workbench ID: 44710
• Mol file: 72276-09-6.mol

Synonyms:Ethyl 4,7-octadienoate;Ethyl (4Z)-4,7-octadienoate;ethyl (4E)-octa-4,7-dienoate;4,7-Octadienoic acid, ethyl ester;72276-09-6;EINECS 276-569-6;ethyl trans-4,7-octadienoate;SCHEMBL3504878;DTXSID0072560;SCHEMBL11123104;4,7-Octadienoic acid ethyl ester;CHEBI:180843;LMFA07010846;Ethyl ester(Z)-4,7-Octadienoic acid

Chemical Property of Ethyl 4,7-octadienoate

Chemical Property:

• Vapor Pressure: 0.258mmHg at 25°C
• Boiling Point: 204.8°C at 760 mmHg
• Flash Point: 73.2°C
• Density: 0.905g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CCC=CCC=C
• Isomeric SMILES: CCOC(=O)CC/C=C/CC=C