3-ETHOXY-2-CYCLOHEXEN-1-ONE

The 2-Cyclohexen-1-one,3-ethoxy-, with CAS registry number 5323-87-5, belongs to the following product categories: (1)C7 to C8; (2)Carbonyl Compounds; (3)Ketones. It has the systematic name of 3-ethoxycyclohex-2-en-1-one. This chemical is a kind of clear colorless to pale yellow liquid. And this chemical should be stored at the temperature of 0-6°C. When use it, avoid contact with skin and eyes.

Physical properties of 2-Cyclohexen-1-one,3-ethoxy-: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.33; (6)ACD/BCF (pH 7.4): 3.33; (7)ACD/KOC (pH 5.5): 82.39; (8)ACD/KOC (pH 7.4): 82.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 38.57 cm³; (15)Molar Volume: 138.8 cm³; (16)Polarizability: 15.29×10^-24cm³; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1 g/cm³; (19)Flash Point: 107.2 °C; (20)Enthalpy of Vaporization: 48.74 kJ/mol; (21)Boiling Point: 250.1 °C at 760 mmHg; (22)Vapour Pressure: 0.022 mmHg at 25°C.

Preparation: this chemical can be prepared by cyclohexane-1,3-dione and ethanol. This reaction will need reagent TsOH. The reaction time is 14 hour(s).

Uses of 2-Cyclohexen-1-one,3-ethoxy-: it can be used to produce 3-Ethoxycyclohexanone. This reaction will need reagents Li, liq. NH₃ and solvent diethyl ether.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C(\OCC)CCC1
(2)InChI: InChI=1/C8H12O2/c1-2-10-8-5-3-4-7(9)6-8/h6H,2-5H2,1H3
(3)InChIKey: JWCFJPLIRVYENQ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H12O2/c1-2-10-8-5-3-4-7(9)6-8/h6H,2-5H2,1H3
(5)Std. InChIKey: JWCFJPLIRVYENQ-UHFFFAOYSA-N