2,2-Dimethoxybutane

This chemical is called 2,2-Dimethoxybutane, and it can also be named as butane, 2,2-dimethoxy-. With the molecular formula of C₆H₁₄O₂, its molecular weight is 118.17. The CAS registry number of this chemical is 3453-99-4.

Other characteristics of the 2,2-Dimethoxybutane can be summarised as followings: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.18; (6)ACD/BCF (pH 7.4): 3.18; (7)ACD/KOC (pH 5.5): 79.59; (8)ACD/KOC (pH 7.4): 79.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.39; (14)Molar Refractivity: 33.3 cm³; (15)Molar Volume: 140.3 cm³; (16)Polarizability: 13.2×10^-24cm³; (17)Surface Tension: 22.3 dyne/cm; (18)Density: 0.841 g/cm³; (19)Flash Point: 0.8 °C; (20)Enthalpy of Vaporization: 32.51 kJ/mol; (21)Boiling Point: 99.8 °C at 760 mmHg; (22)Vapour Pressure: 43.3 mmHg at 25°C.

Production method of this chemical: The 2,2-Dimethoxybutane could be obtained by the reactants of butan-2-one and methanol. This reaction needs the reagent of formylmorpholine-dimethylsulfate-adduct. The yield is 64.4 %. In addition, this reaction should be taken for 24 hours at the ambient temperature.



Uses of this chemical: The 2,2-Dimethoxybutane could react with trichloroacetyl chloride, and obtain the 1,1,1-trichloro-4-methoxy-hex-3-en-2-one. This reaction needs the reagent of pyridine, and the solvent of CH₂Cl₂. The yield is 96 %. In addition, this reaction should be taken for 12 hours at the temperature of 25-30 °C.



You can still convert the following datas into molecular structure: 
1.SMILES: O(C)C(OC)(C)CC
2.InChI: InChI=1/C6H14O2/c1-5-6(2,7-3)8-4/h5H2,1-4H3
3.InChIKey: OXQHJIGWZNIQDS-UHFFFAOYAN