2H-Pyran-2-one,tetrahydro-6-methyl- (823-22-3)

The delta-Hexalactone, with the CAS registry number 823-22-3, is also known as 5-Methyl-5-hydroxypentanoic acid lactone. Its EINECS registry number is 212-511-8. This chemical's molecular formula is C₆H₁₀O₂ and molecular weight is 114.14. Its IUPAC name and systematic name are the same which is called 6-methyloxan-2-one.

Physical properties of delta-Hexalactone: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.35; (8)ACD/KOC (pH 7.4): 34.35; (9)#H bond acceptors: 2; (10)Index of Refraction: 1.43; (11)Molar Refractivity: 29.5 cm³; (12)Molar Volume: 113.9 cm³; (13)Surface Tension: 28.8 dyne/cm; (14)Density: 1.001 g/cm³; (15)Flash Point: 79.8 °C; (16)Enthalpy of Vaporization: 45.21 kJ/mol; (17)Boiling Point: 215.7 °C at 760 mmHg; (18)Vapour Pressure: 0.145 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-tetrahydro-pyran. This reaction will need reagent RuO₄ and solvent CCl₄. The reaction time is 24 hours with ambient temperature. The yield is about 41%.

Uses of delta-Hexalactone: it can be used to produce ethyl (cis-6-methyltetrahydro-2-pyranyl)acetate at temperature of - 78 °C. This reaction will need reagent Et₃SiH and solvent CH₂Cl₂ with reaction time of 30 min. The yield is about 82%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CCCC(=O)O1
(2)InChI: InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3
(3)InChIKey: RZTOWFMDBDPERY-UHFFFAOYSA-N