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Cyclopropyl phenyl ketone

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Name

Cyclopropyl phenyl ketone

EINECS 222-458-2
CAS No. 3481-02-5 Density 1.122 g/cm3
PSA 17.07000 LogP 2.27930
Solubility insoluble in water Melting Point 7-9 °C(lit.)
Formula C10H10O Boiling Point 242.4 °C at 760 mmHg
Molecular Weight 146.189 Flash Point 90.6 °C
Transport Information N/A Appearance clear colourless to light yellow liquid
Safety 23-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 3481-02-5 (Cyclopropyl phenyl ketone) Hazard Symbols N/A
Synonyms

Ketone,cyclopropyl phenyl (6CI,7CI,8CI);Benzoylcyclopropane;Cyclopropyl phenylketone;NSC 10743;Phenyl cyclopropyl ketone;

Article Data 218

Cyclopropyl phenyl ketone Specification

This chemical is called Cyclopropyl phenyl ketone, and it can also be named as Benzoylcyclopropane. With the molecular formula of C10H10O, its molecular weight is 146.19. The CAS registry number of this chemical is 3481-02-5, and its product categories are Cyclopropanes; Simple 3-Membered Ring Compounds. In additon, this chemical is clear colourless to light yellow liquid, and it should be stored at the temperature of 0-6 °C. 

Other characteristics of the Cyclopropyl phenyl ketone can be summarised as followings: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.61; (6)ACD/BCF (pH 7.4): 20.61; (7)ACD/KOC (pH 5.5): 303.55; (8)ACD/KOC (pH 7.4): 303.55; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 43.48 cm3; (15)Molar Volume: 130.2 cm3; (16)Polarizability: 17.23×10-24cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.122 g/cm3; (19)Flash Point: 90.6 °C; (20)Enthalpy of Vaporization: 47.94 kJ/mol; (21)Boiling Point: 242.4 °C at 760 mmHg; (22)Vapour Pressure: 0.034 mmHg at 25°C.

Production method of this chemical: The Cyclopropyl phenyl ketone could be obtained by the reactant of 4-bromo-1-phenyl-butan-1-one. This reaction needs the reagent of sodium hydroxide, and the solvent of dioxane and H2O. The yield is 98 %.

Uses of this chemical: The Cyclopropyl-phenyl-methanol could be obtained by the reactant of Cyclopropyl phenyl ketone. This reaction needs the reagent of LiAlH4, and the solvent of diethyl ether. The yield is 87 %. This reaction should be taken for 2 hours.

When you are using this chemical, please be cautious about it as the following: Do not breathe vapour. Avoid contacting with skin and eyes. 

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(c1ccccc1)C2CC2
2.InChI: InChI=1/C10H10O/c11-10(9-6-7-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
3.InChIKey: PJRHFTYXYCVOSJ-UHFFFAOYAY

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