Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethanone,1-(2-hydroxy-3,4-dimethoxyphenyl)- |
EINECS | N/A |
CAS No. | 5396-18-9 | Density | 1.172 g/cm3 |
PSA | 55.76000 | LogP | 1.61200 |
Solubility | N/A | Melting Point |
75-77 °C |
Formula | C10H12O4 | Boiling Point | 308.1 °C at 760 mmHg |
Molecular Weight | 196.203 | Flash Point | 119.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Acetophenone,2'-hydroxy-3',4'-dimethoxy- (6CI,7CI,8CI);1-(2-Hydroxy-3,4-dimethoxyphenyl)ethanone;2'-Hydroxy-3',4'-dimethoxyacetophenone;3,4-Dimethoxy-2-hydroxyacetophenone;Gallacetophenone-3,4-O-dimethyl ether;NSC1181; |
Article Data | 24 |
The Ethanone,1-(2-hydroxy-3,4-dimethoxyphenyl)-, with the CAS registry number 5396-18-9, is also known as 3,4-Dimethoxy-2-hydroxyacetophenone. It belongs to the product category of Aromatic Acetophenones & Derivatives (Substituted). This chemical's molecular formula is C10H12O4 and molecular weight is 196.1999. What's more, its IUPAC name and systematic name are the same which is called 1-(2-Hydroxy-3,4-dimethoxyphenyl)ethanone. Additionally, it should be preserved hermetically and put in a cool, dry place.
Physical properties about Ethanone,1-(2-hydroxy-3,4-dimethoxyphenyl)-: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.527; (8)Molar Refractivity: 51.51 cm3; (9)Molar Volume: 167.3 cm3; (10)Surface Tension: 39.9 dyne/cm; (11)Density: 1.172 g/cm3; (12)Flash Point: 119.1 °C; (13)Enthalpy of Vaporization: 57.07 kJ/mol ; (14)Boiling Point: 308.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000382 mmHg at 25 °C; (16)Melting point: 75-77 °C.
Preparation of Ethanone,1-(2-hydroxy-3,4-dimethoxyphenyl)-: it can be obtained by sulfuric acid dimethyl ester and 1-(2,3,4-Trihydroxy-phenyl)-ethanone. The reaction occurs with reagent K2CO3 and solvent acetone. The yield is 30%.
Uses of Ethanone,1-(2-hydroxy-3,4-dimethoxyphenyl)-: it is used to produce 3,4-Dimethoxy-pyrocatechol. The reaction occurs with reagent 10 percent aq. NaOH and 3 percent aq. H2O2. The yield is 80%.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1c(O)c(OC)c(OC)cc1)C
(2) InChI: InChI=1/C10H12O4/c1-6(11)7-4-5-8(13-2)10(14-3)9(7)12/h4-5,12H,1-3H3
(3) InChIKey: BCEPNLMYVYJIHU-UHFFFAOYAK