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Ethanone,1-(2,4,6-trimethoxyphenyl)-

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Name

Ethanone,1-(2,4,6-trimethoxyphenyl)-

EINECS N/A
CAS No. 832-58-6 Density 1.089 g/cm3
PSA 44.76000 LogP 1.91500
Solubility N/A Melting Point 98-102 °C
Formula C11H14O4 Boiling Point 343 °C at 760 mmHg
Molecular Weight 210.23 Flash Point 152 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36
Molecular Structure Molecular Structure of 832-58-6 (2',4',6'-TRIMETHOXYACETOPHENONE) Hazard Symbols IrritantXi
Synonyms

Acetophenone,2',4',6'-trimethoxy- (6CI,7CI,8CI);1-(2,4,6-Trimethoxyphenyl)ethanone;2,4,6-Trimethoxyacetophenone;2,4,6-Trimethoxyphenyl methyl ketone;2',4',6'-Trimethoxyacetophenone;O-Methylxanthoxylin;

Article Data 50

Ethanone,1-(2,4,6-trimethoxyphenyl)- Specification

The Ethanone,1-(2,4,6-trimethoxyphenyl)-, with the CAS registry number 832-58-6, is also known as O-Methylxanthoxylin. It belongs to the product categories of Aromatic Acetophenones & Derivatives (substituted); C11 to C12; Carbonyl Compounds; Ketones. This chemical's molecular formula is C11H14O4 and molecular weight is 210.23. What's more, both its IUPAC name and systematic name are the same which is called 1-(2,4,6-Trimethoxyphenyl)ethanone. You should keep it in a cold ang dry place.

Physical properties about Ethanone,1-(2,4,6-trimethoxyphenyl)- are: (1) ACD/LogP: 1.81; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.81; (4) ACD/LogD (pH 7.4): 1.81; (5) ACD/BCF (pH 5.5): 14.02; (6) ACD/BCF (pH 7.4): 14.02; (7) ACD/KOC (pH 5.5): 230.4; (8) ACD/KOC (pH 7.4): 230.4; (9) #H bond acceptors: 4; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 44.76 Å2; (13) Index of Refraction: 1.495; (14) Molar Refractivity: 56.31 cm3; (15) Molar Volume: 192.9 cm3; (16) Surface Tension: 32.9 dyne/cm; (17) Density: 1.089 g/cm3; (18) Flash Point: 152 °C; (19) Enthalpy of Vaporization: 58.68 kJ/mol; (20) Boiling Point: 343 °C at 760 mmHg; (21) Vapour Pressure: 7.27E-05 mmHg at 25 °C; (22) Melting Point: 98-102 °C.

Preparation of Ethanone,1-(2,4,6-trimethoxyphenyl)-: this chemical can be prepared by Acetyl chloride with 1,3,5-Trimethoxy-benzene.

This reaction needs reagent AlCl3 and solvent CH2Cl2 at temperature of -10 ~ -5 °C. The yield is 70 %.

Uses of Ethanone,1-(2,4,6-trimethoxyphenyl)-: it is used to produce other chemicals. For example, it is used to produce 4,2',4',6'-Tetramethoxy-chalcone;

The reaction occurs with reagent NaOH and solvent Ethanol at ambient temperature for 24 hours. The yield is 96 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1c(OC)cc(OC)cc1OC)C
(2) InChI: InChI=1/C11H14O4/c1-7(12)11-9(14-3)5-8(13-2)6-10(11)15-4/h5-6H,1-4H3
(3) InChIKey: KPZWHZSIXZXDMW-UHFFFAOYAH

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