1-(4-Propylphenyl)ethan-1-one

The Ethanone,1-(4-propylphenyl)-, with CAS registry number 2932-65-2, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)Acetophenones (Building Blocks for Liquid Crystals); (3)Building Blocks for Liquid Crystals; (4)Functional Materials. Its systematic name and its IUPAC name are the same, which is 1-(4-propylphenyl)ethanone. What's more, its EINECS is 220-903-5.

Physical properties of Ethanone,1-(4-propylphenyl)-: (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)Enthalpy of Vaporization: 49.51 kJ/mol; (19)Vapour Pressure: 0.0145 mmHg at 25°C.

Uses of Ethanone,1-(4-propylphenyl)-: it can be used to produce 3-methyl-3-(4-propyl-phenyl)-oxirane-2-carbonitrile. This reaction will need reagent potassium tert-butoxide and solvent CH₂Cl₂, 2-methyl-propan-2-ol.  The reaction time is 1 hour(s) with reaction temperature of 5 - 10 ℃. The yield is about 50%.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(4-propylphenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. This chemical is harmful if swallowed, so do not breathe vapour.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)CCC)C
(2)InChI: InChI=1/C11H14O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-8H,3-4H2,1-2H3
(3)InChIKey: ZNBVIYMIVFKTIW-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C11H14O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h5-8H,3-4H2,1-2H3
(5)Std. InChIKey: ZNBVIYMIVFKTIW-UHFFFAOYSA-N