oct-2-enal

This chemical is called 2-Octenal, and its systematic name is Oct-2-enal. With the molecular formula of C₈H₁₄O, its molecular weight is 126.20. The CAS registry number of the chemical is 2363-89-5. 

Other characteristics of 2-Octenal can be summarised as followings: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 59.6; (6)ACD/BCF (pH 7.4): 59.6; (7)ACD/KOC (pH 5.5): 649.14; (8)ACD/KOC (pH 7.4): 649.14; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 39.35 cm³; (15)Molar Volume: 151.5 cm³; (16)Polarizability: 15.6×10^-24cm³; (17)Surface Tension: 27.3 dyne/cm; (18)Density: 0.832 g/cm³; (19)Flash Point: 68.4 °C; (20)Enthalpy of Vaporization: 42.63 kJ/mol; (21)Boiling Point: 190.1 °C at 760 mmHg; (22)Vapour Pressure: 0.552 mmHg at 25°C.

Production method of this chemical: The 2-Octenal could be obtained by the reactant of 1,1-Diethoxy-oct-2c-ene. This reaction needs the reagent of P-toluenesulfonic acid, and the solvents of Acetone and H₂O. The yield is 93.1 %. In addition, this reaction should be taken for 15 minutes at the temperature of 0 °C.



Uses of this chemical: The 2-Octenal could react with Vinylmagnesium bromide to obtain the Deca-1,4-dien-3-ol. This reaction needs the solvent of Tetrahydrofuran. The yield is 62 %.



You can still convert the following datas into molecular structure:
1.SMILES: O=CC=CCCCCC
2.InChI: InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3
3.InChIKey: LVBXEMGDVWVTGY-UHFFFAOYAR
4.Std. InChI: InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3
5.Std. InChIKey: LVBXEMGDVWVTGY-UHFFFAOYSA-N