Hept-2-enyl 3-methylbutanoate

Base Information

• Chemical Name: Hept-2-enyl 3-methylbutanoate
• CAS No.: 253596-70-2
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.3
• European Community (EC) Number: 607-706-3
• DSSTox Substance ID: DTXSID801019997
• Wikidata: Q106618539
• Mol file: 253596-70-2.mol

Synonyms:hept-2-enyl 3-methylbutanoate;253596-70-2;Hept-2-enyl isovalerate;2-hepten-1-yl isovalerate;DTXSID801019997

Chemical Property of Hept-2-enyl 3-methylbutanoate

Chemical Property:

• Vapor Pressure: 0.0211mmHg at 25°C
• Refractive Index: 1.443
• Boiling Point: 250.9°C at 760 mmHg
• Flash Point: 83°C
• Density: 0.884g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC=CCOC(=O)CC(C)C