3,3-Dimethylcyclohexanone

The CAS register number of 3,3-Dimethylcyclohexanone is 2979-19-3. It also can be called as Cyclohexanone,3,3-dimethyl- and the IUPAC name about this chemical is 3,3-dimethylcyclohexan-1-one. It belongs to the following product categories, such as C₇ to C₈, Carbonyl Compounds, Ketones and so on.

Physical properties about 3,3-Dimethylcyclohexanone are: (1)ACD/LogP: 1.80; (2)ACD/LogD (pH 5.5): 1.8; (3)ACD/LogD (pH 7.4): 1.8; (4)ACD/BCF (pH 5.5): 13.62; (5)ACD/BCF (pH 7.4): 13.62; (6)ACD/KOC (pH 5.5): 225.69; (7)ACD/KOC (pH 7.4): 225.69; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07Ų; (10)Index of Refraction: 1.438; (11) Molar Refractivity: 37.12 cm³; (12)Molar Volume: 141.3 cm³; (13)Polarizability: 14.71x10^-24cm³; (14)Surface Tension: 27 dyne/cm; (15)Enthalpy of Vaporization: 40.7 kJ/mol; (16)Boiling Point: 170.6 °C at 760 mmHg; (17)Vapour Pressure: 1.46 mmHg at 25°C.

Preparation: this chemical can be prepared by 5,5-dimethyl-cyclohex-2-enone. This reaction will need reagent H₂, catalyst Pd-C and solvent methanol.

Uses of 3,3-Dimethylcyclohexanone: it can be used to produce 1,3,3-Trimethyl-cyclohexanol with methylmagnesium iodide at temperature of 20 ℃. This reaction is a kind of Grignard reaction. It will need reagent diethyl ether with reaction time of 1 hours. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
This chemical has risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of insufficient ventilation, wear suitable respiratory equipment.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC(C)(C)CCC1
(2)InChI: InChI=1/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3
(3)InChIKey: ZVJQBBYAVPAFLX-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3
(5)Std. InChIKey: ZVJQBBYAVPAFLX-UHFFFAOYSA-N