4-N-NONYLACETOPHENONE

The Ethanone,1-(4-nonylphenyl)- is an organic compound with the formula C₁₇H₂₆O. The IUPAC name of this chemical is 1-(4-Nonylphenyl)ethanone. With the CAS registry number 37593-05-8, it is also named as 1-Acetyl-4-nonylbenzene. Besides, it should be stored in a cool, sealed, dry place.

Physical properties about Ethanone,1-(4-nonylphenyl)- are: (1)ACD/LogP: 6.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.38; (4)ACD/LogD (pH 7.4): 6.38; (5)ACD/BCF (pH 5.5): 41268.64; (6)ACD/BCF (pH 7.4): 41268.64; (7)ACD/KOC (pH 5.5): 70055.74; (8)ACD/KOC (pH 7.4): 70055.74; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 17.07 Å²; (12)Index of Refraction: 1.492; (13)Molar Refractivity: 78.26 cm³; (14)Molar Volume: 269.3 cm³; (15)Polarizability: 31.02×10^-24 cm³; (16)Surface Tension: 33.4 dyne/cm; (17)Density: 0.914 g/cm³; (18)Flash Point: 150 °C; (19)Enthalpy of Vaporization: 60.15 kJ/mol; (20)Boiling Point: 356.3 °C at 760 mmHg; (21)Vapour Pressure: 2.95E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by Acetyl chloride. This reaction will need reagent anhydrous AlCl₃ and solvent CH₂Cl₂. The reaction time is 2 hours. The yield is about 91%.

Uses of Ethanone,1-(4-nonylphenyl)-: it can be used to produce 1,3-Bis-(4-nonyl-phenyl)-propane-1,3-dione. It will need reagent NaOH. The yield is about 97%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C17H26O/c1-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)15(2)18/h11-14H,3-10H2,1-2H3
(2)InChIKey: PWRSUUUQEQAMEV-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C17H26O/c1-3-4-5-6-7-8-9-10-16-11-13-17(14-12-16)15(2)18/h11-14H,3-10H2,1-2H3
(4)Std. InChIKey: PWRSUUUQEQAMEV-UHFFFAOYSA-N