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

The CAS register number of 2H-Pyran-2-one,3,6-dihydro-4,6,6-trimethyl- is 22954-83-2. It also can be called as 3,6-Dihydro-4,6,6-trimethyl-2h-pyran-2-one and the systematic name about this chemical is 4,6,6-trimethyl-3,6-dihydro-2H-pyran-2-one. The molecular formula about this chemical is C₈H₁₂O₂ and the molecular weight is 140.18. 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,3,6-dihydro-4,6,6-trimethyl- are: (1)ACD/LogP: 1.24; (2)#H bond acceptors: 2; (3)Polar Surface Area: 26.3 Å²; (4)Index of Refraction: 1.447; (5)Molar Refractivity: 38.42 cm³; (6)Molar Volume: 143.6 cm³; (7)Polarizability: 15.23x10^-24cm³; (8)Surface Tension: 26.6 dyne/cm; (9)Density: 0.975 g/cm³; (10)Flash Point: 85.4 °C; (11)Enthalpy of Vaporization: 49.31 kJ/mol; (12)Boiling Point: 255.6 °C at 760 mmHg; (13)Vapour Pressure: 0.0161 mmHg at 25 °C.

Preparation: this chemical can be prepared by 5-Chlor-4,6,6-trimethyl-5,6-dihydro-2H-pyran-2-on. This reaction will need solvent of acetic acid and catalytic agent of Zn. The reaction time is 3 days with reaction temperature of 40 °C. The yield is about 58%.

Uses of 2H-Pyran-2-one,3,6-dihydro-4,6,6-trimethyl-: it can be used to produce 2,2,4-trimethyl-5,6-dihydro-2H-pyran. This reaction will need reagent of LiAlH₄ and solvent of diethyl ether. The reaction time is 16 hours with ambient temperature. The yield is about 83%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(/C=C(/C)C1)(C)C
(2)InChI: InChI=1/C8H12O2/c1-6-4-7(9)10-8(2,3)5-6/h5H,4H2,1-3H3
(3)InChIKey: NHUXODGJQOPQHG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H12O2/c1-6-4-7(9)10-8(2,3)5-6/h5H,4H2,1-3H3
(5)Std. InChIKey: NHUXODGJQOPQHG-UHFFFAOYSA-N