2-Propyl-2-heptenyl acetate

Base Information

• Chemical Name: 2-Propyl-2-heptenyl acetate
• CAS No.: 53735-50-5
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.30188
• European Community (EC) Number: 258-732-3
• DSSTox Substance ID: DTXSID30968503
• Mol file: 53735-50-5.mol

Synonyms:2-Propyl-2-heptenyl acetate;53735-50-5;EINECS 258-732-3;2-propylhept-2-en-1-yl acetate;DTXSID30968503

Chemical Property of 2-Propyl-2-heptenyl acetate

Chemical Property:

• Vapor Pressure: 0.0166mmHg at 25°C
• Boiling Point: 255.2°C at 760 mmHg
• Flash Point: 86°C
• PSA: 26.30000
• Density: 0.887g/cm³
• LogP: 3.46620
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC=C(CCC)COC(=O)C