4-ISOPROPYLCYCLOHEXANONE

The Cyclohexanone,4-(1-methylethyl)-, with the CAS registry number 5432-85-9, is also known as 4-Iso-propylcyclohexanone and 4-(Methylethyl)cyclohexan-1-one. Its EINECS registry number is 226-592-2. This chemical's molecular formula is C₉H₁₆O and molecular weight is 140.2227. What's more, its IUPAC name is called 4-Propan-2-ylcyclohexan-1-one. 

Physical properties about this chemical are: (1)ACD/LogP: 2.13; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.61; (6)ACD/BCF (pH 7.4): 24.61; (7)ACD/KOC (pH 5.5): 344.62; (8)ACD/KOC (pH 7.4): 344.62; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 41.66 cm³; (15)Molar Volume: 155 cm³; (16)Surface Tension: 29.6 dyne/cm; (17)Density: 0.904 g/cm³; (18)Flash Point: 65 °C; (19)Enthalpy of Vaporization: 43.18 kJ/mol; (20)Boiling Point: 195.6 °C at 760 mmHg; (21)Vapour Pressure: 0.416 mmHg at 25 °C.

Preparation of Cyclohexanone,4-(1-methylethyl)-: this chemical can be prepared by 4-Isopropyl-cyclohex-2-enone.

This reaction needs reagent Zn-NiCl₂ (9:1) and solvent H₂O, 2-Methoxy-ethanol at temperature of 30 °C. The reaction time is 2 hours. The yield is 98%.

Uses of Cyclohexanone,4-(1-methylethyl)-: it is used to produce other chemicals. For example, it is used to produce 4-Isopropyl-cyclohexanone oxime.

The reaction occurs with reagent NH₂OH*HCl, NaOAc and solvent H₂O, Methanol at temperature of 60 °C. The yield is 74%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to the skin or other mucous membranes.You should avoid breatheing gas/fumes/vapour/spray and contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCC(C(C)C)CC1
(2) InChI: InChI=1/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3
(3) InChIKey: FPKISACHVIIMRA-UHFFFAOYAQ