4-Ethylacetophenone

The Ethanone,1-(4-ethylphenyl)-, with CAS registry number 937-30-4, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)Adehydes, Acetals & Ketones; (3)Acetophenones (Building Blocks for Liquid Crystals); (4)Building Blocks for Liquid Crystals; (5)Functional Materials; (6)C10; (7)Carbonyl Compounds; (8)Ketones. It has the systematic name of 1-(4-ethylphenyl)ethanone. This chemical is a kind of clear colorless to yellow liquid. When use this chemical, please avoid contact with skin and eyes.

Physical properties of Ethanone,1-(4-ethylphenyl)-: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.49; (6)ACD/BCF (pH 7.4): 61.49; (7)ACD/KOC (pH 5.5): 663.84; (8)ACD/KOC (pH 7.4): 663.84; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 45.83 cm³; (15)Molar Volume: 153.7 cm³; (16)Polarizability: 18.16×10^-24cm³; (17)Surface Tension: 33.1 dyne/cm; (18)Enthalpy of Vaporization: 47.65 kJ/mol; (19)Vapour Pressure: 0.0397 mmHg at 25°C.

Preparation: this chemical can be prepared by ethylbenzene and acetyl chloride. This reaction will need reagent AlCl₃, carbon disulfide.

Uses of Ethanone,1-(4-ethylphenyl)-: it can be used to produce 1,1'-p-phenylene-bis-ethanone. This reaction will need reagent air, cobalt naphthenate. The reaction temperature is 125 ℃.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)CC)C
(2)InChI: InChI=1/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3
(3)InChIKey: NODGRWCMFMEGJH-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H12O/c1-3-9-4-6-10(7-5-9)8(2)11/h4-7H,3H2,1-2H3
(5)Std. InChIKey: NODGRWCMFMEGJH-UHFFFAOYSA-N