1-Cyclohexylethan-1-one

The Ethanone, 1-cyclohexyl-, with CAS registry number 823-76-7, belongs to the following product category: ketone. It has the systematic name of 1-cyclohexylethanone. This chemical should be stored in cool, dry place in tightly closed containers. What's more, its EINECS is 212-517-0.

Physical properties of Ethanone, 1-cyclohexyl-: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.43; (6)ACD/BCF (pH 7.4): 16.43; (7)ACD/KOC (pH 5.5): 258.13; (8)ACD/KOC (pH 7.4): 258.13; (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: 1.448; (14)Molar Refractivity: 36.87 cm³; (15)Molar Volume: 137.7 cm³; (16)Polarizability: 14.61×10^-24cm³; (17)Surface Tension: 30.6 dyne/cm; (18)Enthalpy of Vaporization: 41.78 kJ/mol; (19)Vapour Pressure: 0.849 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-cyclohexyl-ethanol. This reaction will need reagent TEMPO, Oxone, n-Bu₄NBr and solvent toluene. The reaction time is 12 hour(s) with reaction temperature of 20 ℃. The yield is about 71%.

Uses of Ethanone, 1-cyclohexyl-: it can be used to produce acetoxycyclohexane. This reaction will need reagent peroxybenzoic acid, chloroform.

When you are using this chemical, please be cautious about it as the following:
The Ethanone, 1-cyclohexyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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=C(C)C1CCCCC1
(2)InChI: InChI=1/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3
(3)InChIKey: RIFKADJTWUGDOV-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3
(5)Std. InChIKey: RIFKADJTWUGDOV-UHFFFAOYSA-N