4-OXO-CYCLOHEXANECARBOXALDEHYDE

The CAS register number of Cyclohexanone-4-carboxaldehyde is 96184-81-5. It also can be called as 4-Oxocyclohexanecarboxyaldehyde and the IUPAC name about this chemical is 4-oxocyclohexane-1-carbaldehyde. The molecular formula about this chemical is C₇H₁₀O₂ and the molecular weight is 126.15. It belongs to the Aldehyde.

Physical properties about Cyclohexanone-4-carboxaldehyde are: (1)ACD/LogP: -0.12; (2)ACD/LogD (pH 5.5): -0.12; (3)ACD/LogD (pH 7.4): -0.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.39; (7)ACD/KOC (pH 7.4): 20.39; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 34.14Ų; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 34.4 cm³; (13)Molar Volume: 109.5 cm³; (14)Polarizability: 13.64x10^-24cm³; (15)Surface Tension: 51 dyne/cm; (16)Enthalpy of Vaporization: 45.99 kJ/mol; (17)Boiling Point: 223.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0963 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-[(Trimethylsilyl)oxy]-4-formyl-1-cyclohexene. This reaction will need reagent CH₃OH at ambient temperature. The reaction time is 24 hour(s). The yield is about 90%.

Uses of Cyclohexanone-4-carboxaldehyde: it can be used to produce 4-Dimethoxymethylcyclohexenon with trimethoxymethane at ambient temperature. This reaction will need reagent 0.4 M ErCl₃ and solvent methanol with reaction time of 2.5 hours. The yield is about 65%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCC(C=O)CC1
(2)InChI: InChI=1/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h5-6H,1-4H2
(3)InChIKey: SFNKUFOBKQJUEB-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h5-6H,1-4H2
(5)Std. InChIKey: SFNKUFOBKQJUEB-UHFFFAOYSA-N