3,3,5,5-TETRAMETHYLCYCLOHEXANONE

The Cyclohexanone,3,3,5,5-tetramethyl-, with the CAS registry number 14376-79-5, is also known as 3,3,5, 5-Tetramethylcyclohexanone. It belongs to the product categories of API intermediates; C10; Carbonyl Compounds; Ketones. Its EINECS registry number is 238-350-3. This chemical's molecular formula is C₁₀H₁₈O and molecular weight is 154.25. Its IUPAC name is called 3,3,5,5-tetramethylcyclohexan-1-one. This chemical is clear colorless to slightly yellow liquid. When you are using this chemical, please be cautious about it. You should not breathe its gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). What's more, you must avoid contacting it with skin and eyes. The product should be sealed and stored in cool, dry place.

Physical properties of Cyclohexanone,3,3,5,5-tetramethyl-: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 2.83; (3)ACD/LogD (pH 7.4): 2.83; (4)ACD/BCF (pH 5.5): 83.04; (5)ACD/BCF (pH 7.4): 83.04; (6)ACD/KOC (pH 5.5): 823.06; (7)ACD/KOC (pH 7.4): 823.06; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.43; (10)Molar Refractivity: 46.44 cm³; (11)Molar Volume: 179.7 cm³; (12)Surface Tension: 24.1 dyne/cm; (13)Density: 0.857 g/cm³; (14)Flash Point: 73.3 °C; (15)Enthalpy of Vaporization: 42.99 kJ/mol; (16)Boiling Point: 193.8 °C at 760 mmHg; (17)Vapour Pressure: 0.457 mmHg at 25°C.

Preparation: this chemical can be prepared by methylmagnesium iodide and 3,5,5-trimethyl-cyclohex-2-enone. This reaction will need reagent CuI.

Uses of Cyclohexanone,3,3,5,5-tetramethyl-: it can be used to produce 1,3,3,5,5-Pentamethyl-cyclohexanol at temperature of 20 °C. This reaction is a kind of Grignard reaction. It will need solvent diethyl ether with reaction time of 1 hour. The yield is about 93%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(CC(=O)CC(C1)(C)C)C
(2)InChI: InChI=1S/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4H3
(3)InChIKey: OQJMHUOCLRCSED-UHFFFAOYSA-N