2',4'-Dimethylacetophenone

The Ethanone,1-(2,4-dimethylphenyl)-, with CAS registry number 89-74-7, belongs to the following product categories: (1)Fine Chemical & Intermediates; (2)Aromatic Acetophenones & Derivatives (substituted); (3)Thiazole Flavor; (4)C10; (5)Carbonyl Compounds; (6)Ketones; (7)Alphabetical Listings; (8)C-D; (9)Flavors and Fragrances. It has the systematic name of 1-(2,4-dimethylphenyl)ethanone. This chemical is a kind of clear colorless to very slightly yellow liquid. What's more, its EINECS is 201-935-9.

Physical properties of Ethanone,1-(2,4-dimethylphenyl)-: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 17.07 Å²; (9)Index of Refraction: 1.51; (10)Molar Refractivity: 45.93 cm³; (11)Molar Volume: 153.5 cm³; (12)Polarizability: 18.2×10^-24cm³; (13)Surface Tension: 32.9 dyne/cm; (14)Enthalpy of Vaporization: 46.79 kJ/mol; (15)Vapour Pressure: 0.0631 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid anhydride and 1,3-dimethyl-benzene. This reaction will need reagent LiClO₄. The reaction time is 15 hour(s) with reaction temperature of 100 ℃. The yield is about 75%.

Uses of Ethanone,1-(2,4-dimethylphenyl)-: it can be used to produce (2,4-Dimethyl-phenyl)-glyoxal. This reaction will need reagents SeO₂, dioxane.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation and if swallowed. 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.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)c1ccc(C)cc1C
(2)InChI: InChI=1/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3
(3)InChIKey: HSDSKVWQTONQBJ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3
(5)Std. InChIKey: HSDSKVWQTONQBJ-UHFFFAOYSA-N