1-Propanone,1-phenyl-

The Propiophenone, with the CAS registry number 93-55-0 and EINECS registry number 202-257-6, has the systematic name and IUPAC name of 1-phenylpropan-1-one. And the molecular formula of this chemical is C₉H₁₀O. It is a kind of colourless to light yellow liquid, and belongs to the product categories of Organics and API intermediates.

The Propiophenone is an aryl ketone, and insoluble in water. It is usually used in the synthesis of ephedrine and propiophenone derivatives such as cathinone, and methcathinone. It is also used in the synthesis of aryl alkenes, such as phenylpropanoids. What's more, it is used as the intermediate of phenantoin and cholestanol.

The physical properties of Propiophenone are as following: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.183; (4)ACD/LogD (pH 7.4): 2.183; (5)ACD/BCF (pH 5.5): 26.869; (6)ACD/BCF (pH 7.4): 26.869; (7)ACD/KOC (pH 5.5): 367.012; (8)ACD/KOC (pH 7.4): 367.012; (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: 1.507; (14)Molar Refractivity: 40.914 cm³; (15)Molar Volume: 137.471 cm³; (16)Polarizability: 16.219×10^-24cm³; (17)Surface Tension: 34.117 dyne/cm; (18)Density: 0.976 g/cm³; (19)Flash Point: 87.39 °C; (20)Enthalpy of Vaporization: 45.438 kJ/mol; (21)Boiling Point: 217.999 °C at 760 mmHg; (22)Vapour Pressure: 0.129 mmHg at 25°C.

Preparation of Propiophenone: It can be prepared by propionic acid anhydride and benzene. The reaction will need the regerent AlCl₃.

Uses of Propiophenone: It can react with 3-bromo-propene to produce 3-phenyl-hex-5-yn-3-ol. This reaction will need reagent amalgamated magnesium.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC(=O)c1ccccc1
(2)InChI: InChI=1/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
(3)InChIKey: KRIOVPPHQSLHCZ-UHFFFAOYAT

The toxicity data is as follows: