4-hydroxy-3,6-dimethyl-2H-pyran-2-one

The CAS register number of 2H-Pyran-2-one,4-hydroxy-3,6-dimethyl- is 5192-62-1. It also can be called as 3,6-Dimethyl-4-hydroxy-2-pyrone and the systematic name about this chemical is 4-hydroxy-3,6-dimethyl-2H-pyran-2-one. The molecular formula about this chemical is C₇H₈O₃ and the molecular weight is 140.1366.

Physical properties about 2H-Pyran-2-one,4-hydroxy-3,6-dimethyl- are: (1)ACD/LogP: 0.07; (2)ACD/LogD (pH 7.4): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 29; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.53 Å²; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 34.996 cm³; (13)Molar Volume: 111.53 cm³; (14)Polarizability: 13.874x10^-24cm³; (15)Surface Tension: 44.026 dyne/cm; (16)Density: 1.257 g/cm³; (17)Flash Point: 107.539 °C; (18)Enthalpy of Vaporization: 56.034 kJ/mol; (19)Boiling Point: 245.147 °C at 760 mmHg; (20)Vapour Pressure: 0.005 mmHg at 25 °C.

Preparation: this chemical can be prepared by 6-methyl-3-phenylaminomethylene-pyran-2,4-dione. This reaction will need reagent of H₂, catalytic agent of 5percent Pd/charcoal and solvent of ethanol. The yield is about 65%.

Uses of 2H-Pyran-2-one,4-hydroxy-3,6-dimethyl-: it can be used to produce 4-<2H3>Methoxy-3,6-dimethyl-2H-pyran-2-one with sulfuric acid bis-trideuteriomethyl ester. This reaction will need reagent of K₂CO₃ and solvent of butan-2-one. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
Usually it is not harmful to water, if no official permission, do not put materials into the permission surroundings. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: OC=1/C=C(/C)OC(=O)C=1C
(2)InChI: InChI=1/C7H8O3/c1-4-3-6(8)5(2)7(9)10-4/h3,8H,1-2H3
(3)InChIKey: VVBIGJOVPZMWGU-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H8O3/c1-4-3-6(8)5(2)7(9)10-4/h3,8H,1-2H3
(5)Std. InChIKey: VVBIGJOVPZMWGU-UHFFFAOYSA-N