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| CAS No.: | 3481-02-5 |
|---|---|
| Name: | Cyclopropyl phenyl ketone |
| Article Data: | 218 |
| Molecular Structure: | |
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| Formula: | C10H10O |
| Molecular Weight: | 146.189 |
| Synonyms: | Ketone,cyclopropyl phenyl (6CI,7CI,8CI);Benzoylcyclopropane;Cyclopropyl phenylketone;NSC 10743;Phenyl cyclopropyl ketone; |
| EINECS: | 222-458-2 |
| Density: | 1.122 g/cm3 |
| Melting Point: | 7-9 °C(lit.) |
| Boiling Point: | 242.4 °C at 760 mmHg |
| Flash Point: | 90.6 °C |
| Solubility: | insoluble in water |
| Appearance: | clear colourless to light yellow liquid |
| Safety: | 23-24/25 |
| PSA: | 17.07000 |
| LogP: | 2.27930 |
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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 %.
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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.
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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