2',6'-Dimethoxyacetophenone

This chemical is called 2',6'-Dimethoxyacetophenone, and its IUPAC name is 1-(2,6-dimethoxyphenyl)ethanone. With the molecular formula of C₁₀H₁₂O₃, its molecular weight is 180.20. The CAS registry number of this chemical is 2040-04-2, and its product categories are Aromatic Acetophenones & Derivatives (substituted); C10; Carbonyl Compounds; Ketones. In additon, this chemical is crystal.

Other characteristics of the 2',6'-Dimethoxyacetophenone can be summarised as followings: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 18.69; (6)ACD/BCF (pH 7.4): 18.69; (7)ACD/KOC (pH 5.5): 283.08; (8)ACD/KOC (pH 7.4): 283.08; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 49.63 cm³; (15)Molar Volume: 168.9 cm³; (16)Polarizability: 19.67×10^-24cm³; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.066 g/cm³; (19)Flash Point: 111.3 °C; (20)Enthalpy of Vaporization: 55.48 kJ/mol; (21)Boiling Point: 313.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000488 mmHg at 25°C.

Production method of this chemical: The 2',6'-Dimethoxyacetophenone could be obtained the reactants of acetyl chloride and (2,6-dimethoxyphenyl)trimethylsilane. This reaction needs the reagent of AlCl₃, and the solvent of CH₂Cl₂. The yield is 95 %. In addition, this reaction should be taken for 2 hours at the temperature of -40 °C.

Uses of this chemical: The 1-(2-hydroxy-6-methoxy-phenyl)-ethanone could be obtained by the reactant of 2',6'-Dimethoxyacetophenone. This reaction needs the reagent of AlCl₃ and diethyl ether.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(c1c(OC)cccc1OC)C
2.InChI: InChI=1/C10H12O3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-6H,1-3H3
3.InChIKey: XEUGKOFTNAYMMX-UHFFFAOYAM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)		National Technical Information Service. Vol. AD277-689,