1-Octen-3-one

IUPAC Name: Oct-1-en-3-one 
Molecular Formula: C₈H₁₄O 
Molecular Weight: 126.20 g/mol
Canonical SMILES: C(CCCCC)(C=C)=O
InChI: InChI=1/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3 
Mol File: 4312-99-6.mol
EINECS: 224-327-5 
Product Categories: API intermediates; ketone Flavor 
H bond acceptors: 1 
Freely Rotating Bonds: 5 
Index of Refraction: 1.422 
Molar Refractivity: 38.86 cm³ 
Molar Volume: 152.8 cm³ 
Polarizability: 15.4×10^-24cm³ 
Surface Tension: 25.8 dyne/cm 
Density: 0.825 g/cm³ 
Flash Point: 58.5 °C 
Enthalpy of Vaporization: 41.33 kJ/mol 
Boiling Point: 177 °C at 760 mmHg 
Vapour Pressure of 1-Octen-3-one (CAS NO.4312-99-6): 1.06 mmHg at 25 °C

Hazard Codes: Xn