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CAS No.: | 7508-05-6 |
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Name: | 2',3',4',6'-TETRAMETHOXYACETOPHENONE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C12H16O5 |
Molecular Weight: | 240.256 |
Synonyms: | Acetophenone,2',3',4',6'-tetramethoxy- (7CI,8CI);1-(2,3,4,6-Tetramethoxyphenyl)ethanone;2',3',4',6'-Tetramethoxyacetophenone;NSC 401465; |
Density: | 1.107g/cm3 |
Melting Point: | 55–56°C |
Boiling Point: | 358.3 °C at 760 mmHg |
Flash Point: | 158.1 °C |
PSA: | 53.99000 |
LogP: | 1.92360 |
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The Ethanone,1-(2,3,4,6-tetramethoxyphenyl)- with CAS registry number of 7508-05-6 is also called 2,3,4,6-tetramethoxy-acetophenone. It belongs to categories of Aromatic Acetophenones & Derivatives (substituted). Its IUPAC name is 1-(2,3,4,6-tetramethoxyphenyl)ethanone.
Physical properties about this chemical are: (1) ACD/LogP: 1.85; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 5; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 5; (6) Polar Surface Area: 53.99 Å2; (7) Index of Refraction: 1.492; (8) Molar Refractivity: 62.99 cm3; (9) Molar Volume: 216.9 cm3; (10) Polarizability: 24.97×10-24 cm3; (11) Surface Tension: 32.7 dyne/cm; (12) Density: 1.107 g/cm3; (13) Flash Point: 158.1 °C; (14) Enthalpy of Vaporization: 60.37 kJ/mol; (15) Boiling Point: 358.3 °C at 760 mmHg; (16) Vapour Pressure: 2.58E-05 mmHg at 25°C.
Preparation of Ethanone,1-(2,3,4,6-tetramethoxyphenyl)-: this chemical can be prepared by 1-(2-hydroxy-3,4,6-trimethoxy-phenyl)-ethanone.
The reaction needs solvent CHCl3 and ethyl acetate.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1c(OC)c(OC)c(OC)cc1OC)C;
(2) InChI: InChI=1/C12H16O5/c1-7(13)10-8(14-2)6-9(15-3)11(16-4)12(10)17-5/h6H,1-5H3;
(3) InChIKey: FENZKGOUICFKMZ-UHFFFAOYAM;
(4) Std. InChI: InChI=1S/C12H16O5/c1-7(13)10-8(14-2)6-9(15-3)11(16-4)12(10)17-5/h6H,1-5H3;
(5) Std. InChIKey: FENZKGOUICFKMZ-UHFFFAOYSA-N