Hex-3-enyl 2-ethylbutanoate

Base Information

• Chemical Name: Hex-3-enyl 2-ethylbutanoate
• CAS No.: 233666-04-1
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.3
• DSSTox Substance ID: DTXSID601020071
• Wikidata: Q106640471
• Mol file: 233666-04-1.mol

Synonyms:233666-04-1;hex-3-enyl 2-ethylbutanoate;DTXSID601020071;AKOS025296355

Chemical Property of Hex-3-enyl 2-ethylbutanoate

Chemical Property:

• Boiling Point: 251.2±19.0 °C(Predicted)
• Density: 0.884±0.06 g/cm3(Predicted)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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