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Name |
Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)- |
EINECS | N/A |
CAS No. | 6962-57-8 | Density | 1.279 g/cm3 |
PSA | 75.99000 | LogP | 1.31760 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H12O5 | Boiling Point | 425.4 °C at 760 mmHg |
Molecular Weight | 212.202 | Flash Point | 171.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetophenone,3',6'-dihydroxy-2',4'-dimethoxy- (6CI,7CI,8CI);3',6'-Dihydroxy-2',4'-dimethoxyacetophenone;NSC 37417; |
Article Data | 12 |
The Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-, with the CAS registry number 6962-57-8, is also known as 3',6'-Dihydroxy-2',4'-dimethoxyacetophenone. It belongs to the product category of Aromatic Acetophenones & Derivatives (Substituted). This chemical's molecular formula is C10H12O5 and molecular weight is 212.2. What's more, its IUPAC name and systematic name are the same which is called 1-(3,6-Dihydroxy-2,4-dimethoxyphenyl)ethanone.
Physical properties about Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 53.99 Å2; (7)Index of Refraction: 1.557; (8)Molar Refractivity: 53.4 cm3; (9)Molar Volume: 165.8 cm3; (10)Surface Tension: 47.7 dyne/cm; (11)Density: 1.279 g/cm3; (12)Flash Point: 171.2 °C; (13)Enthalpy of Vaporization: 70.63 kJ/mol; (14)Boiling Point: 425.4 °C at 760 mmHg; (15)Vapour Pressure: 7.77E-08 mmHg at 25 °C.
Preparation of Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-: it can be obtained by 1-(2-Hydroxy-4,6-dimethoxy-phenyl)-ethanone. The reaction occurs with reagent dimethyl dioxirane and solvents acetone, CH2Cl2 at temperature of 0-20°C for 10 minutes. The yield is 82%.
Uses of Ethanone,1-(3,6-dihydroxy-2,4-dimethoxyphenyl)-: it is used to produce other chemicals. For example, it can react with Chloromethyl-benzene to get 1-(3,6-Bis-benzyloxy-2,4-dimethoxy-phenyl)-ethanone. The reaction occurs with reagent potassium carbonate and solvent dimethylformamide at temperature of 50°C for 10 minutes. The yield is 88%.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1c(OC)c(O)c(OC)cc1O)C
(2) InChI: InChI=1/C10H12O5/c1-5(11)8-6(12)4-7(14-2)9(13)10(8)15-3/h4,12-13H,1-3H3
(3) InChIKey: JQIYCACQAOMVTI-UHFFFAOYAW