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3602-54-8

Basic Information
CAS No.: 3602-54-8
Name: 1-(2,4-DIHYDROXY-6-METHOXY-PHENYL)-ETHANONE
Article Data: 27
Molecular Structure:
Molecular Structure of 3602-54-8 (1-(2,4-DIHYDROXY-6-METHOXY-PHENYL)-ETHANONE)
Formula: C9H10O4
Molecular Weight: 182.176
Synonyms: 1-(2,4-DIHYDROXY-6-METHOXY-PHENYL)-ETHANONE;2,4-Dihydroxy-6-methoxyacetophene;2,4-Dihydroxy-6-Methoxyacetophenone;2-O-Methylphloroacetophenone;6-O-Methylphloroacetophenone
Density: 1.284 g/cm3
Melting Point: 139-140 °C
Boiling Point: 333.493 °C at 760 mmHg
Flash Point: 135.517 °C
PSA: 66.76000
LogP: 1.30900
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Specification

Both the product and the systematic name of this chemical are the same which is called 1-(2,4-Dihydroxy-6-methoxyphenyl)ethanone. With the CAS registry number 3602-54-8, it is also known as Ethanone, 1-(2,4-dihydroxy-6-methoxyphenyl)-. This chemical's molecular formula is C9H10O4 and molecular weight is 182.1733.

Physical properties of 1-(2,4-Dihydroxy-6-methoxyphenyl)ethanone: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 27; (5)ACD/BCF (pH 7.4): 17; (6)ACD/KOC (pH 5.5): 367; (7)ACD/KOC (pH 7.4): 226; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 46.723 cm3; (13)Molar Volume: 141.826 cm3; (14)Surface Tension: 51.077 dyne/cm; (15)Density: 1.284 g/cm3; (16)Flash Point: 135.517 °C; (17)Enthalpy of Vaporization: 59.922 kJ/mol; (18)Boiling Point: 333.493 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(2,4,6-trimethoxy-phenyl)-ethanone. This reaction will need reagent aluminium chloride.

1-(2,4-Dihydroxy-6-methoxyphenyl)ethanone can be prepared by 1-(2,4,6-trimethoxy-phenyl)-ethanone

Uses of 1-(2,4-Dihydroxy-6-methoxyphenyl)ethanone: it can be used to produce 2,4-dihydroxy-3-iodo-6-methoxy-acetophenone at temperature of 60 - 70 °C. This reaction will need reagents iodine, periodic acid and solvent ethanol with reaction time of 2 hours. The yield is about 86%.

1-(2,4-Dihydroxy-6-methoxyphenyl)ethanone can be used to produce 2,4-dihydroxy-3-iodo-6-methoxy-acetophenone

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(O)cc(O)cc1OC)C
(2)InChI: InChI=1/C9H10O4/c1-5(10)9-7(12)3-6(11)4-8(9)13-2/h3-4,11-12H,1-2H3
(3)InChIKey: IETZAWFZIAOWQX-UHFFFAOYAY