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Cyclobutanone

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Name

Cyclobutanone

EINECS 214-745-6
CAS No. 1191-95-3 Density 1.038 g/cm3
PSA 17.07000 LogP 0.73940
Solubility INSOLUBLE Melting Point -50.9 °C
Formula C4H6O Boiling Point 96.5 °C at 760 mmHg
Molecular Weight 70.091 Flash Point 10 °C
Transport Information UN 1224 3/PG 3 Appearance Clear colourless to slightly yellow liquid
Safety 23-24/25-9-33-29-16-7/9 Risk Codes 11
Molecular Structure Molecular Structure of 1191-95-3 (Cyclobutanone) Hazard Symbols HighlyF+
Synonyms

NSC 87632;AI3-37787;

Article Data 164

Cyclobutanone Specification

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%.

Cyclobutanone can be prepared by 1-methanesulfonyl-1-methylsulfanyl-cyclobutane

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%.

Cyclobutanone can be used to get dihydro-furan-2-one

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

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