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4-O-Methylphloracetophenone

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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 Molecular Structure of 7507-89-3 (1-(2,6-DIHYDROXY-4-METHOXYPHENYL)ETHANONE) 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

4-O-Methylphloracetophenone Specification

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%.

4-O-Methylphloracetophenone can be prepared by sulfuric acid dimethyl ester and sulfuric acid dimethyl ester when they are heated

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%.

4-O-Methylphloracetophenone can be used to produce 2-(2,5-dihydroxy-phenyl)-5-hydroxy-7-methoxy-chroman-4-one at the temperature of 120 °C

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

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