CAS No.6100-74-9,4-methoxy-3-hydroxyacetophenone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6100-74-9
Name:	4-methoxy-3-hydroxyacetophenone
Article Data:	26

Formula:	C₉H₁₀O₃
Molecular Weight:	166.177
Synonyms:	Acetophenone,3'-hydroxy-4'-methoxy- (7CI,8CI);1-(3-Hydroxy-4-methoxyphenyl)ethanone;2-Methoxy-5-acetylphenol;3'-Hydroxy-4'-methoxyacetophenone;4'-Methoxy-3'-hydroxyacetophenone;5-Acetyl-2-methoxyphenol;Acetoisovanillone;Isoacetovanillone;NSC 30050;
EINECS:	211-589-0
Density:	1.158 g/cm³
Melting Point:	88-92 °C
Boiling Point:	329.9°C at 760 mmHg
Flash Point:	135.7°C
Appearance:	solid
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	22
PSA:	46.53000
LogP:	1.60340

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Specification

This chemical is called Ethanone,1-(3-hydroxy-4-methoxyphenyl)-, and its systematic name is 4-Methoxy-3-hydroxyacetophenone. With the molecular formula of C₉H₁₀O₃, its molecular weight is 166.17. The CAS registry number of this chemical is 6100-74-9. Additionally, its product categories are Aromatic Acetophenones & Derivatives (substituted).

Other characteristics of the Ethanone,1-(3-hydroxy-4-methoxyphenyl)- can be summarised as followings: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.29; (6)ACD/BCF (pH 7.4): 5.2; (7)ACD/KOC (pH 5.5): 114.64; (8)ACD/KOC (pH 7.4): 112.66; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 44.84 cm³; (15)Molar Volume: 143.3 cm³; (16)Polarizability: 17.77×10^-24cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.158 g/cm³; (19)Flash Point: 135.7 °C; (20)Enthalpy of Vaporization: 59.52 kJ/mol; (21)Boiling Point: 329.9 °C at 760 mmHg; (22)Vapour Pressure: 8.96E-05 mmHg at 25°C.

Production method of this chemical: The Ethanone,1-(3-hydroxy-4-methoxyphenyl)- could be obtained by the reactants of 1-benzo[1,3]dioxol-5-yl-ethanone and methanol; sodium salt. This reaction needs the solvents of methanol, dimethylsulfoxide,dimethylformamide. The yield is 43 %. In addition, this reaction should be taken for 6 hours at the temperature of 150 °C.

he Ethanone,1-(3-hydroxy-4-methoxyphenyl)- could be obtained by the reactants of 1-benzo[1,3]dioxol-5-yl-ethanone and methanol; sodium salt.

Uses of this chemical: The Ethanone,1-(3-hydroxy-4-methoxyphenyl)- could react with Diazoethane to obtain the 1-(3-ethoxy-4-methoxy-phenyl)-ethanone. This reaction needs the solvent of diethyl ether. The yield is 54 %.

The Ethanone,1-(3-hydroxy-4-methoxyphenyl)- could react with Diazoethane to obtain the 1-(3-ethoxy-4-methoxy-phenyl)-ethanone

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc(OC)c(O)c1)C
2.InChI: InChI=1/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3
3.InChIKey: YLTGFGDODHXMFB-UHFFFAOYAG