4,4-DIMETHYL-2-CYCLOHEXEN-1-ONE

This chemical is called 4,4-Dimethyl-2-cyclohexenone, and its systematic name is 4,4-Dimethylcyclohex-2-en-1-one. With the molecular formula of C₈H₁₂O, its molecular weight is 124.18. The CAS registry number of the chemical is 1073-13-8. Additionally, its product categories are Blocks; BuildingBlocks; C₇ to C₈; Carbonyl Compounds; Ketones. 

Other characteristics of 4,4-Dimethyl-2-cyclohexenone can be summarised as followings: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 7.89; (6)ACD/BCF (pH 7.4): 7.89; (7)ACD/KOC (pH 5.5): 152.63; (8)ACD/KOC (pH 7.4): 152.63; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 36.72 cm³; (15)Molar Volume: 134.6 cm³; (16)Polarizability: 14.55×10^-24cm³; (17)Surface Tension: 28 dyne/cm; (18)Density: 0.922 g/cm³; (19)Flash Point: 64.4 °C; (20)Enthalpy of Vaporization: 40.99 kJ/mol; (21)Boiling Point: 173.5 °C at 760 mmHg; (22)Vapour Pressure: 1.26 mmHg at 25°C.

Production method of this chemical: The 4,4-Dimethyl-2-cyclohexenone could be obtained by the reactants of But-3-en-2-one and Isobutyraldehyde. This reaction needs the reagent of Conc. H₂SO₄, and the solvent of Benzene. In addition, this reaction should be taken at heated condition.



Uses of this chemical: The 4,4-Dimethyl-2-cyclohexenone could react with Chloro-trimethyl-silane to obtain the 5,5-Dimethyl-2-trimethylsilyloxycyclohexadien. This reaction needs the reagent of Et₃N, and the solvent of Dimethylformamide.



When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes. It is harmful by inhalation, in contact with skin and if swallowed. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure:
1.SMILES: O=C1\C=C/C(C)(C)CC1
2.InChI: InChI=1/C8H12O/c1-8(2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3
3.InChIKey: HAUNPYVLVAIUOO-UHFFFAOYAR
4.Std. InChI: InChI=1S/C8H12O/c1-8(2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3
5.Std. InChIKey: HAUNPYVLVAIUOO-UHFFFAOYSA-N