2',4'-DIHYDROXY-3'-METHYLPROPIOPHENONE

The 1-Propanone,1-(2,4-dihydroxy-3-methylphenyl)-, with the CAS registry number 63876-46-0, is also known as 2',4'-Dihydroxy-3'-methylpropiophenone. This chemical's molecular formula is C₁₀H₁₂O₃ and molecular weight is 180.20048. Its IUPAC name is called 1-(2,4-dihydroxy-3-methylphenyl)propan-1-one. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides. It is brown crystalline powder.

Physical properties of 1-Propanone,1-(2,4-dihydroxy-3-methylphenyl)-: (1)ACD/LogP: 2.73; (2)ACD/LogD (pH 5.5): 2.73; (3)ACD/LogD (pH 7.4): 2.68; (4)ACD/BCF (pH 5.5): 69.91; (5)ACD/BCF (pH 7.4): 61.76; (6)ACD/KOC (pH 5.5): 727.34; (7)ACD/KOC (pH 7.4): 642.57; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 49.5 cm³; (13)Molar Volume: 150.6 cm³; (14)Surface Tension: 49.7 dyne/cm; (15)Density: 1.196 g/cm³; (16)Flash Point: 179.7 °C; (17)Enthalpy of Vaporization: 61.8 kJ/mol; (18)Boiling Point: 350 °C at 760 mmHg; (19)Vapour Pressure: 2.24E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by propionic acid anhydride and 2-methyl-benzene-1,3-diol. This reaction will need reagent boron trifluoride etherate. The reaction time is 6 hours with reaction temperature of 75 °C. The yield is about 84%.

Uses of 1-Propanone,1-(2,4-dihydroxy-3-methylphenyl)-: it can be used to produce 2,4-dimethoxy-3-methylpropiophenone by heating. This reaction will need reagent potassium carbonate and solvent acetone with reaction time of 48 hours. The yield is about 86%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(=O)C1=C(C(=C(C=C1)O)C)O
(2)InChI: InChI=1S/C10H12O3/c1-3-8(11)7-4-5-9(12)6(2)10(7)13/h4-5,12-13H,3H2,1-2H3
(3)InChIKey: VSJSCDVYCXQGAX-UHFFFAOYSA-N