1-Propanone,1-(4-ethylphenyl)-

The 1-Propanone,1-(4-ethylphenyl)-, with the CAS registry number 27465-51-6, has the IUPAC name of 1-(4-ethylphenyl)propan-1-one. And the molecular formula of this chemical is C₁₁H₁₄O. It is a kind of irritant chemical, and belongs to the product category of Aromatic Propiophenones (substituted).

The physical properties of 1-Propanone,1-(4-ethylphenyl)- are as following: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 155.83; (6)ACD/BCF (pH 7.4): 155.83; (7)ACD/KOC (pH 5.5): 1291.57; (8)ACD/KOC (pH 7.4): 1291.57; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 50.46 cm³; (15)Molar Volume: 170.2 cm³; (16)Polarizability: 20×10^-24cm³; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 0.952 g/cm³; (19)Flash Point: 103.2 °C; (20)Enthalpy of Vaporization: 49.51 kJ/mol; (21)Boiling Point: 257.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0145 mmHg at 25°C.

Uses of 1-Propanone,1-(4-ethylphenyl)-: It can react with [1,3]dioxolane and piperidine; hydrochloride to produce eperisone hydrochloride. This reaction will need reagent conc. HCl. The reaction time is 6.5 hours with temperature of 90°C, and the yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)CC)CC
(2)InChI: InChI=1/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3
(3)InChIKey: VGQRIILEZYZAOE-UHFFFAOYAQ