CAS No.1193-47-1,2,2-DIMETHYLCYCLOHEXANONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1193-47-1
Name:	2,2-DIMETHYLCYCLOHEXANONE
Article Data:	127

Formula:	C₈H₁₄O
Molecular Weight:	126.199
Synonyms:	2,2-Dimethyl-1-cyclohexanone;2,2-Dimethylcyclohexanone;NSC 20553;
EINECS:	215-589-1
Density:	0.892g/cm³
Melting Point:	-20 °C(lit.)
Boiling Point:	170.6 °C at 760 mmHg
Flash Point:	50.1 °C
Risk Codes:	10
Safety:	16
Transport Information:	UN 1224
PSA:	17.07000
LogP:	2.15570

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Specification

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.

Uses of Cyclohexanone,2,2-dimethyl-: it can be used to produce 6-bromo-2,2-dimethyl-cyclohexanone

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