CAS No.3580-38-9,2-BENZOYLCYCLOHEXANONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3580-38-9
Name:	2-BENZOYLCYCLOHEXANONE
Article Data:	37

Formula:	C₁₃H₁₄O₂
Molecular Weight:	202.253
Synonyms:	2-Benzoylcyclohexanone;NSC 122581;U 15811;
Density:	1.123 g/cm³
Melting Point:	88-91 °C(lit.)
Boiling Point:	343.7 °C at 760 mmHg
Flash Point:	128.9 °C
PSA:	34.14000
LogP:	2.62860

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Specification

This chemical is called Cyclohexanone, 2-benzoyl-, and its systematic name is 2-benzoylcyclohexanone. With the molecular formula of C₁₃H₁₄O₂, its molecular weight is 202.25. The CAS registry number of this chemical is 3580-38-9. Additionally, its product categories are Miscellaneous;C13 to C14;Carbonyl Compounds;Ketones. In addition, please keep the this chemical in a cool and ventilated place.

Other characteristics of the chemical can be summarised as followings:(1)ACD/LogP: 1.72; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 34.14 Å²; (5)Index of Refraction: 1.551; (6)Molar Refractivity: 57.44 cm³; (7)Molar Volume: 179.9 cm³; (8)Polarizability: 22.77× 10^-24cm³; (9)Surface Tension: 43.7 dyne/cm; (10)Density: 1.123 g/cm³; (11)Flash Point: 128.9 °C; (12)Enthalpy of Vaporization: 58.76 kJ/mol; (13)Boiling Point: 343.7 °C at 760 mmHg; (14)Vapour Pressure: 6.89E-05 mmHg at 25 °C.

Production method of this chemical: The Cyclohexanone, 2-benzoyl- could be obtained by the reactant of 2-(tert-butylamino-phenyl-methylene)-cyclohexanone. This reaction needs the reagent of aq. 6N HCl. The yield is 85%. In addition, this reaction should be taken for 2 hours at the condition of heating.

The Cyclohexanone, 2-benzoyl- could be obtained by the reactant of 2-(tert-butylamino-phenyl-methylene)-cyclohexanone.

Uses of this chemical: The Cyclohexanone, 2-benzoyl- could react with acetyl chloride, and obtain the (2-acetoxy-cyclohex-1-enyl)-phenyl ketone. This reaction needs the reagent of aq. NaOH, and the solvent of CH₂Cl₂. The yield is 95.5 %. In addition, this reaction should be taken for 1 hour at the ambient temperature. The other condition is this reaction need the activators of tetra-n-butylammonium, hydrogen and sulphate.

The Cyclohexanone, 2-benzoyl- could react with acetyl chloride, and obtain the (2-acetoxy-cyclohex-1-enyl)-phenyl ketone.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2CCCCC2C(=O)c1ccccc1
2.InChI: InChI=1/C13H14O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
3.InChIKey: YTVQIZRDLKWECQ-UHFFFAOYAN
4.Std. InChI: InChI=1S/C13H14O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
5.Std. InChIKey: YTVQIZRDLKWECQ-UHFFFAOYSA-N