3,7-Dimethyloct-6-enyl 2-ethylbutyrate

Base Information

• Chemical Name: 3,7-Dimethyloct-6-enyl 2-ethylbutyrate
• CAS No.: 94021-96-2
• Molecular Formula: C16H30 O2
• Molecular Weight: 254.4082
• European Community (EC) Number: 301-488-0
• DSSTox Substance ID: DTXSID40916671
• Nikkaji Number: J367.944F
• Mol file: 94021-96-2.mol

Synonyms:3,7-Dimethyloct-6-enyl 2-ethylbutyrate;94021-96-2;EINECS 301-488-0;DTXSID40916671;2-Ethylbutyric acid 3,7-dimethyl-6-octenyl ester;3,7-DIMETHYLOCT-6-EN-1-YL 2-ETHYLBUTANOATE;Butanoic acid, 2-ethyl-, 3,7-dimethyl-6-octenyl ester

Chemical Property of 3,7-Dimethyloct-6-enyl 2-ethylbutyrate

Chemical Property:

• Vapor Pressure: 0.000254mmHg at 25°C
• Boiling Point: 323.9°Cat760mmHg
• Flash Point: 92.3°C
• PSA: 26.30000
• Density: 0.876g/cm³
• LogP: 4.73840
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 254.224580195
• Heavy Atom Count: 18
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C(=O)OCCC(C)CCC=C(C)C