Cyclobutanone

The IUPAC name of this chemical is Cyclobutanone. The CAS registry number is 1191-95-3 and the EINECS registry number is 214-745-6. In addition, the molecular formula is C₄H₆O and the molecular weight is 70.09. It is a kind of Clear colourless to slightly yellow liquid and belongs to the classes of Pharmaceutical Intermediates; Cyclic Compounds; Carbonyl Compounds; Ketone; Cyclobutanes & Cyclobutenes; Simple 4-Membered Ring Compounds; C3 to C6; Carbonyl Compounds; Ketones.

Physical properties about this chemical are: (1)ACD/LogP: -0.37; (2)ACD/LogD (pH 5.5): -0.37; (3)ACD/LogD (pH 7.4): -0.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.05; (7)ACD/KOC (pH 7.4): 15.05; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07 Å²; (10)Index of Refraction: 1.462; (11)Molar Refractivity: 18.57 cm³; (12)Molar Volume: 67.4 cm³; (13)Polarizability: 7.36 ×10^-24cm³; (14)Surface Tension: 36.3 dyne/cm; (15)Density: 1.038 g/cm³; (16)Flash Point: 10 °C; (17)Enthalpy of Vaporization: 33.61 kJ/mol; (18)Boiling Point: 96.5 °C at 760 mmHg; (19)Vapour Pressure: 43.4 mmHg at 25°C.

Preparation of Cyclobutanone: it can be prepared by 1-methanesulfonyl-1-methylsulfanyl-cyclobutane. This reaction will need reagent conc. hydrochloric acid and solvent dioxane. The reaction time is 20 hours at reaction temperature of 100 °C. The yield is about 85%.

Uses of Cyclobutanone: it can be used to get dihydro-furan-2-one. This reaction will need reagent 30percent aqueous H₂O₂, catalyst polystyrene-bound phenylselenic acid and solvent CH₂Cl₂. The reaction time is 3 hours with ambient temperature. The yield is about 96%.

When you are using this chemical, please be cautious about it as the following:
This chemical is extremely flammable. During using it, avoid contact with skin and eyes and do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). In addition, do not empty into drains and take precautionary measures against static discharges. Moreover, you shoul keep container tightly closed and in a well-ventilated place and keep away from sources of ignition-no smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCC1
(2)InChI: InChI=1/C4H6O/c5-4-2-1-3-4/h1-3H2
(3)InChIKey: SHQSVMDWKBRBGB-UHFFFAOYAY