CAS No.15485-66-2,1-(2,4,6-Trihydroxyphenyl)-2-(4-methoxyphenyl)ethanone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	15485-66-2
Name:	1-(2,4,6-Trihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
Article Data:	17

Formula:	C₁₅H₁₄O₅
Molecular Weight:	274.273
Synonyms:	Acetophenone,2',4',6'-trihydroxy-2-(p-methoxyphenyl)- (7CI,8CI);Phloroacetophenone,2-(p-methoxyphenyl)- (6CI);2,4,6-Trihydroxy-4'-methoxydeoxybenzoin;NSC 76058;a-(4-Methoxyphenyl)-2,4,6-trihydroxyacetophenone;
Density:	1.364 g/cm³
Melting Point:	192-193 °C
Boiling Point:	475.7 °C at 760 mmHg
Flash Point:	180.1 °C
Appearance:	Colorless to light yellow crystal
PSA:	86.99000
LogP:	2.23740

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Specification

The 1-(2,4,6-Trihydroxyphenyl)-2-(4-methoxyphenyl)ethanone is an organic compound with the formula C₁₅H₁₄O₅. The IUPAC name of this chemical is 2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone. With the CAS registry number 15485-66-2, it is also named as ethanone, 2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-.

Physical properties about 1-(2,4,6-Trihydroxyphenyl)-2-(4-methoxyphenyl)ethanone are: (1)ACD/LogP: 3.50; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 53.99 Å²; (6)Index of Refraction: 1.647; (7)Molar Refractivity: 73.09 cm³; (8)Molar Volume: 200.9 cm³; (9)Polarizability: 28.97×10^-24cm³; (10)Surface Tension: 63 dyne/cm; (11)Density: 1.364 g/cm³; (12)Flash Point: 180.1 °C; (13)Enthalpy of Vaporization: 76.75 kJ/mol; (14)Boiling Point: 475.7 °C at 760 mmHg; (15)Vapour Pressure: 1.13E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by (4-methoxy-phenyl)-acetonitrile and benzene-1,3,5-triol. This reaction will need reagent HCl gas and solvent diethyl ether. The reaction time is 24 hours. The yield is about 47%.

Uses of 1-(2,4,6-Trihydroxyphenyl)-2-(4-methoxyphenyl)ethanone: it can be used to produce 2-hydroxy-4,6,4'-trimethoxy-deoxybenzoin at temperature of 0 °C. It will need solvent methanol, diethyl ether. The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(O)cc(O)cc1O)Cc2ccc(OC)cc2
(2)InChI: InChI=1/C15H14O5/c1-20-11-4-2-9(3-5-11)6-12(17)15-13(18)7-10(16)8-14(15)19/h2-5,7-8,16,18-19H,6H2,1H3
(3)InChIKey: KYODHQXYXKDRTF-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H14O5/c1-20-11-4-2-9(3-5-11)6-12(17)15-13(18)7-10(16)8-14(15)19/h2-5,7-8,16,18-19H,6H2,1H3
(5)Std. InChIKey: KYODHQXYXKDRTF-UHFFFAOYSA-N