3,4-DIHYDRO-6-METHYL-2H-PYRAN-2-ONE

The CAS register number of 2H-Pyran-2-one,3,4-dihydro-6-methyl- is 3740-59-8. It also can be called as 3,4-Dihydro-6-methyl-2-pyranone and the IUPAC name about this chemical is 6-methyl-3,4-dihydropyran-2-one. The molecular formula about this chemical is C₆H₈O₂ and the molecular weight is 112.13. It belongs to the following product categories which include API intermediates; Building Blocks; Heterocyclic Building Blocks; Pyrans and so on. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.

Physical properties about 2H-Pyran-2-one,3,4-dihydro-6-methyl- are: (1)ACD/LogP: 1.36; (2)ACD/LogD (pH 5.5): 1.35; (3)ACD/LogD (pH 7.4): 1.35; (4)ACD/BCF (pH 5.5): 6.3; (5)ACD/BCF (pH 7.4): 6.3; (6)ACD/KOC (pH 5.5): 130.02; (7)ACD/KOC (pH 7.4): 130.02; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.3 Å²; (10)Index of Refraction: 1.464; (11)Molar Refractivity: 29.1 cm³; (12)Molar Volume: 105.2 cm³; (13)Polarizability: 11.53x10^-24cm³; (14)Surface Tension: 31.8 dyne/cm; (15)Density: 1.065 g/cm³; (16)Flash Point: 78.9 °C; (17)Enthalpy of Vaporization: 42.92 kJ/mol; (18)Boiling Point: 193 °C at 760 mmHg; (19)Vapour Pressure: 0.475 mmHg at 25 °C.

Preparation: this chemical can be prepared by 5-oxo-hexanoic acid. This reaction will need reagent of acetanhydride. The yield is about 39%.

Uses of 2H-Pyran-2-one,3,4-dihydro-6-methyl-: it can be used to produce 1-(2-methoxy-5-methyl-phenyl)-hexane-1,5-dione with 2-bromo-4-methyl-anisole. This reaction will need reagents of BuLi, TMSCl and THF. The reaction time is 1 hour with reaction temperature of -78 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O\C(=C/CC1)C
(2)InChI: InChI=1/C6H8O2/c1-5-3-2-4-6(7)8-5/h3H,2,4H2,1H3
(3)InChIKey: DOSOPEZOHKMQPJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h3H,2,4H2,1H3
(5)Std. InChIKey: DOSOPEZOHKMQPJ-UHFFFAOYSA-N