2,2,5,5-TETRAMETHYLTETRAHYDROFURAN-3-ONE

The 3(2H)-Furanone,dihydro-2,2,5,5-tetramethyl-, with the CAS registry number 5455-94-7, is also known as 2,2,5,5-Tetramethyltetrahydro-3-ketofuran and Dihydro-2,2,5,5-tetramethyl-3(2H)-furanone. It belongs to the product categories of Building Blocks; Furans; Heterocyclic Building Blocks. This chemical's molecular formula is C₈H₁₄O₂ and molecular weight is 142.2. What's more, both its IUPAC name and systematic name are the same which is called 2,2,5,5-Tetramethyldihydrofuran-3(2H)-one. When you are dealing with this chemical, you should be very careful. This chemical is Flammable. Therefore, you should keep away from sources of ignition. And you had better not smoke.

Physical properties about this chemical are: (1)ACD/LogP: 0.92; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.95; (6)ACD/BCF (pH 7.4): 2.95; (7)ACD/KOC (pH 5.5): 75.52; (8)ACD/KOC (pH 7.4): 75.52; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 38.82 cm³; (15)Molar Volume: 153 cm³; (16)Surface Tension: 24 dyne/cm; (17)Density: 0.928 g/cm³; (18)Flash Point: 39.4 °C; (19)Enthalpy of Vaporization: 38.67 kJ/mol; (20)Boiling Point: 149.8 °C at 760 mmHg; (21)Vapour Pressure: 3.97 mmHg at 25 °C.

Preparation of 3(2H)-Furanone,dihydro-2,2,5,5-tetramethyl-: this chemical can be prepared by 2,5-Dimethyl-hex-3-yne-2,5-diol.

This reaction needs reagent 50percent H₂SO₄ at temperature of 50 °C. The reaction time is 2 hours. The yield is 50%.

Uses of 3(2H)-Furanone,dihydro-2,2,5,5-tetramethyl-: it is used to produce other chemicals. For example, it is used to produce 2,2,5-Trimethyl-tetrahydro-pyran-4-one.

The reaction occurs with reagent 50 percent H₂SO₄. The yield is 50%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C(OC(C)(C)C1)(C)C
(2) InChI: InChI=1/C8H14O2/c1-7(2)5-6(9)8(3,4)10-7/h5H2,1-4H3
(3) InChIKey: HWFLEGUPVIFSJN-UHFFFAOYAZ