Name: 1-(2,6-DIHYDROXY-4-METHOXYPHENYL)ETHANONE
SKU: 7507-89-3

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Basic Information

Molecular Structure:
CAS No.:	7507-89-3
Name:	1-(2,6-DIHYDROXY-4-METHOXYPHENYL)ETHANONE
Article Data:	42

Formula:	C₉H₁₀O₄
Molecular Weight:	182.176
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;
Density:	1.284 g/cm³
Melting Point:	144 °C
Boiling Point:	356.7 °C at 760 mmHg
Flash Point:	146.3 °C
PSA:	66.76000
LogP:	1.30900

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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