2,2-DIMETHYL-3-PENTANONE

This chemical is called 2,2-Dimethylpentan-3-one, and its systematic name is 2,2-dimethylpentan-3-one. With the molecular formula of C₇H₁₄O, its molecular weight is 114.19. The CAS registry number of this chemical is 564-04-5. 

Other characteristics of the chemical can be summarised as followings:(1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): 1.6; (3)ACD/LogD (pH 7.4): 1.6; (4)ACD/BCF (pH 5.5): 9.72; (5)ACD/BCF (pH 7.4): 9.72; (6)ACD/KOC (pH 5.5): 177.27; (7)ACD/KOC (pH 7.4): 177.27; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Ų; (11)Index of Refraction: 1.403; (12)Molar Refractivity: 34.47 cm³; (13)Molar Volume: 141.2 cm³; (14)Polarizability: 13.66×10^-24 cm³; (15)Surface Tension: 23.4 dyne/cm; (16)Density: 0.808 g/cm³; (17)Flash Point: 22.4 °C; (18)Enthalpy of Vaporization: 36.09 kJ/mol; (19)Boiling Point: 128.1 °C at 760 mmHg; (20)Vapour Pressure: 10.8 mmHg at 25°C.

Production method of this chemical: The 2,2-Dimethylpentan-3-one could be obtained by the reactant of 2,2-dimethyl-pentan-3-ol. This reaction needs the reagent of pyridinium chlorochromate, and the solvent of CH₂Cl₂. The yield is 89%. In addition, this reaction should be taken for 1.5 hours.



Uses of this chemical: The 2,2-Dimethylpentan-3-one could react with morpholine, and obtain the 4-(1-tert-butyl-propenyl)-morpholine. This reaction needs the reagent of titanium tetrachloride. The yield is 55%. In addition, this reaction should be taken for 22 hours at the condition of being heated.



You can still convert the following datas into molecular structure: 
1.SMILES: O=C(CC)C(C)(C)C
2.InChI: InChI=1/C7H14O/c1-5-6(8)7(2,3)4/h5H2,1-4H3
3.InChIKey: VLNUTKMHYLQCQB-UHFFFAOYAC
4.Std. InChI: InChI=1S/C7H14O/c1-5-6(8)7(2,3)4/h5H2,1-4H3
5.Std. InChIKey: VLNUTKMHYLQCQB-UHFFFAOYSA-N