4'-N-OCTYLACETOPHENONE

The Ethanone,1-(4-octylphenyl)-, with the CAS registry number 10541-56-7, is also known as p-Octylacetophenone. It belongs to the product categories of Acetophenones (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. This chemical's molecular formula is C₁₆H₂₄O and molecular weight is 232.36. What's more, its IUPAC name is 1-(4-Octylphenyl)ethanone. Complied with the regulations of use and storage, it does not decompose. It should be sealed and stored in a cool and dry place.

Physical properties of Ethanone,1-(4-octylphenyl)- are: (1)ACD/LogP: 5.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.84; (4)ACD/LogD (pH 7.4): 5.84; (5)ACD/BCF (pH 5.5): 16285.25; (6)ACD/BCF (pH 7.4): 16285.25; (7)ACD/KOC (pH 5.5): 36007.24; (8)ACD/KOC (pH 7.4): 36007.24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 73.62 cm³; (15)Molar Volume: 252.8 cm³; (16)Polarizability: 29.18×10^-24 cm³; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 0.919 g/cm³; (19)Flash Point: 143 °C; (20)Enthalpy of Vaporization: 58.44 kJ/mol; (21)Boiling Point: 340.8 °C at 760 mmHg; (22)Vapour Pressure: 8.38E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by Octyltrifluorosilane and p-Trifluoromethanesulfonyloxyacetophenone at the temperature of 50 °C. This reaction will need reagent TBAF and solvent tetrahydrofuran with the reaction time of 2.5 hours. This reaction will also need catalyst Pd(PPh₃)₄. The yield is about 65%.

Uses of Ethanone,1-(4-octylphenyl)-: it can be used to produce 1,3-di(p-n-octylphenyl)propane-1,3-dione at the ambient temperature. It will need reagent NaOH. The yield is about 93%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)C
(2)InChI: InChI=1S/C16H24O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h10-13H,3-9H2,1-2H3
(3)InChIKey: GARQDIVXKVBJFP-UHFFFAOYSA-N