4'-N-HEPTYLACETOPHENONE

The Ethanone,1-(4-heptylphenyl)- is an organic compound with the formula C₁₅H₂₂O. The IUPAC name of this chemical is 1-(4-heptylphenyl)ethanone. With the CAS registry number 37593-03-6, it is also named as 4-Heptylacetophenone. The product's categories are Acetophenones (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. Besides, it should be stored in a closed cool and ddry place.

Physical properties about Ethanone,1-(4-heptylphenyl)- are: (1)ACD/LogP: 5.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.31; (4)ACD/LogD (pH 7.4): 5.31; (5)ACD/BCF (pH 5.5): 6426.41; (6)ACD/BCF (pH 7.4): 6426.41; (7)ACD/KOC (pH 5.5): 18506.95; (8)ACD/KOC (pH 7.4): 18506.95; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 17.07 Å²; (12)Index of Refraction: 1.495; (13)Molar Refractivity: 68.99 cm³; (14)Molar Volume: 236.3 cm³; (15)Polarizability: 27.35×10^-24cm³; (16)Surface Tension: 33.3 dyne/cm; (17)Density: 0.923 g/cm³; (18)Flash Point: 135.8 °C; (19)Enthalpy of Vaporization: 56.71 kJ/mol; (20)Boiling Point: 325 °C at 760 mmHg; (21)Vapour Pressure: 0.000237 mmHg at 25°C.

Uses of Ethanone,1-(4-heptylphenyl)-: it can be used to produce 1,3-bis-(4-heptyl-phenyl)-propane-1,3-dione. It will need reagent NaOH. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)CCCCCCC)C
(2)InChI: InChI=1/C15H22O/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h9-12H,3-8H2,1-2H3
(3)InChIKey: UQBRZOXCKKBKDU-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C15H22O/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h9-12H,3-8H2,1-2H3
(5)Std. InChIKey: UQBRZOXCKKBKDU-UHFFFAOYSA-N