CYCLOHEXANONE DIETHYL ACETAL

The Cyclohexane,1,1-diethoxy- is an organic compound with the formula C₁₀H₂₀O₂. The IUPAC name of this chemical is 1,1-Diethoxycyclohexane. With the CAS registry number 1670-47-9, it is also named as Cyclohexanone diethyl ketal. The product's category is Miscellaneous. Besides, it is clear colorless liquid, which should be avoided to contact with the oxide and reduction.

Physical properties about Cyclohexane,1,1-diethoxy- are: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): 2.36; (3)ACD/LogD (pH 7.4): 2.36; (4)ACD/BCF (pH 5.5): 36.59; (5)ACD/BCF (pH 7.4): 36.59; (6)ACD/KOC (pH 5.5): 457.8; (7)ACD/KOC (pH 7.4): 457.8; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 18.46 Å²; (11)Index of Refraction: 1.441; (12)Molar Refractivity: 49.79 cm³; (13)Molar Volume: 188.2 cm³; (14)Polarizability: 19.73×10^-24 cm³; (15)Surface Tension: 29.2 dyne/cm; (16)Density: 0.91 g/cm³; (17)Flash Point: 60.2 °C; (18)Enthalpy of Vaporization: 42.46 kJ/mol; (19)Boiling Point: 206.4 °C at 760 mmHg; (20)Vapour Pressure: 0.341 mmHg at 25 °C.

Preparation: this chemical can be prepared by Cyclohexanone. This reaction will need reagent Bi(OTf)₃•4H₂O and solvent ethanol. The reaction time is 2 hours with reaction temperature of 20 °C. The yield is about 73%.

Uses of Cyclohexane,1,1-diethoxy-: it can be used to produce Ethyl-cyclohexyl ether. It will need reagents AlCl₃; triethylsilane and solvent CH₂Cl₂ with reaction time of 1 hour. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H20O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h3-9H2,1-2H3
(2)InChIKey: MWUDABUKTZAZCX-UHFFFAOYAP
(3)Std. InChI: InChI=1S/C10H20O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h3-9H2,1-2H3
(4)Std. InChIKey: MWUDABUKTZAZCX-UHFFFAOYSA-N