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Name |
4-O-Methylphloracetophenone |
EINECS | N/A |
CAS No. | 7507-89-3 | Density | 1.284 g/cm3 |
PSA | 66.76000 | LogP | 1.30900 |
Solubility | N/A | Melting Point |
144 °C |
Formula | C9H10O4 | Boiling Point | 356.7 °C at 760 mmHg |
Molecular Weight | 182.176 | Flash Point | 146.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(2,6-dihydroxy-4-methoxy-phenyl)ethanone;2',6'-dihydroxy-4'-methoxyacetophenone;Ethanone, 1- (2, 6-dihydroxy-4-methoxyphenyl)-;2, 6-Dihydroxy-4-methoxyacetophenone;Ethanone, 1-(2,6-dihydroxy-4-methoxyphenyl)- (9CI);Ethanone, 1-(2,6-dihydroxy-4-methoxyphenyl)-;Acetophenone, 2,6-dihydroxy-4-methoxy-;Acetophenone, 2,6-dihydroxy-4-methoxy- (8CI);2,6-Dihydroxy-4-methoxyacetophenone;Desaspidinol-A; |
Article Data | 42 |
The 4-O-Methylphloracetophenone, with the CAS registry number 7507-89-3, is also known as 2,6-Dihydroxy-4-methoxyacetophenone. It belongs to the product categorie of Aromatic Acetophenones & Derivatives (substituted). This chemical's molecular formula is C9H10O4 and molecular weight is 182.17. What's more, its IUPAC name is 1-(2,6-dihydroxy-4-methoxyphenyl)ethanone.
Physical properties of 4-O-Methylphloracetophenone are: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 54.77; (6)ACD/BCF (pH 7.4): 54.05; (7)ACD/KOC (pH 5.5): 611; (8)ACD/KOC (pH 7.4): 603; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 46.72 cm3; (15)Molar Volume: 141.8 cm3; (16)Polarizability: 18.52×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.284 g/cm3; (19)Flash Point: 146.3 °C; (20)Enthalpy of Vaporization: 62.57 kJ/mol; (21)Boiling Point: 356.7 °C at 760 mmHg; (22)Vapour Pressure: 1.4E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by sulfuric acid dimethyl ester and sulfuric acid dimethyl ester when they are heated. This reaction will need reagent K2CO3 and solvent acetone with the reaction time of 2 hours. The yield is about 56%.
Uses of 4-O-Methylphloracetophenone: it can be used to produce 2-(2,5-dihydroxy-phenyl)-5-hydroxy-7-methoxy-chroman-4-one at the temperature of 120 °C. It will need reagent boric acid and solvent toluene with the reaction time of 48 hours. The yield is about 31%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(O)cc(OC)cc1O)C
(2)Std. InChI: InChI=1S/C9H10O4/c1-5(10)9-7(11)3-6(13-2)4-8(9)12/h3-4,11-12H,1-2H3
(3)Std. InChIKey: GKSGTWUNURZTKD-UHFFFAOYSA-N