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Name |
Cyclohexanone,2,2-dimethyl- |
EINECS | 215-589-1 |
CAS No. | 1193-47-1 | Density | 0.892g/cm3 |
PSA | 17.07000 | LogP | 2.15570 |
Solubility | N/A | Melting Point |
-20 °C(lit.) |
Formula | C8H14O | Boiling Point | 170.6 °C at 760 mmHg |
Molecular Weight | 126.199 | Flash Point | 50.1 °C |
Transport Information | UN 1224 | Appearance | N/A |
Safety | 16 | Risk Codes | 10 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,2-Dimethyl-1-cyclohexanone;2,2-Dimethylcyclohexanone;NSC 20553; |
Article Data | 127 |
The Cyclohexanone,2,2-dimethyl-, with CAS registry number 1193-47-1, belongs to the following product categories: (1)C7 to C8; (2)Carbonyl Compounds; (3)Ketones. It has the systematic name of 2,2-dimethylcyclohexanone. And the chemical formula of this chemical is C8H14O. This chemical is flammable, so keep it away from sources of ignition.
Physical properties of Cyclohexanone,2,2-dimethyl-: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.62; (6)ACD/BCF (pH 7.4): 13.62; (7)ACD/KOC (pH 5.5): 225.69; (8)ACD/KOC (pH 7.4): 225.69; (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: 1.438; (14)Molar Refractivity: 37.12 cm3; (15)Molar Volume: 141.3 cm3; (16)Polarizability: 14.71×10-24cm3; (17)Surface Tension: 27 dyne/cm; (18)Density: 0.892 g/cm3; (19)Flash Point: 50.1 °C; (20)Enthalpy of Vaporization: 40.7 kJ/mol; (21)Boiling Point: 170.6 °C at 760 mmHg; (22)Vapour Pressure: 1.46 mmHg at 25°C.
Uses of Cyclohexanone,2,2-dimethyl-: it can be used to produce 6-bromo-2,2-dimethyl-cyclohexanone. This reaction will need reagents N-bromo-succinimide, CCl4.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCC1(C)C
(2)InChI: InChI=1/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3
(3)InChIKey: KNSPBSQWRKKAPI-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3
(5)Std. InChIKey: KNSPBSQWRKKAPI-UHFFFAOYSA-N