Whiskey lactone

The 2(3H)-Furanone,5-butyldihydro-4-methyl-, with CAS registry number 39212-23-2, has the systematic name of 5-butyl-4-methyldihydrofuran-2(3H)-one. Besides this, it is also called Whiskey lactone. And the chemical formula of this chemical is C₉H₁₆O₂. What's more, its EINECS is 254-357-4.

Physical properties of 2(3H)-Furanone,5-butyldihydro-4-methyl-: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 14.08; (6)ACD/BCF (pH 7.4): 14.08; (7)ACD/KOC (pH 5.5): 231.09; (8)ACD/KOC (pH 7.4): 231.09; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 43.48 cm³; (15)Molar Volume: 166.8 cm³; (16)Polarizability: 17.23×10^-24cm³; (17)Surface Tension: 27.5 dyne/cm; (18)Density: 0.936 g/cm³; (19)Flash Point: 95.6 °C; (20)Enthalpy of Vaporization: 48.36 kJ/mol; (21)Boiling Point: 246.5 °C at 760 mmHg; (22)Vapour Pressure: 0.027 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,3-dichloro-5-(3,4-dimethoxy-phenyl)-4-methyl-5-p-tolylsulfanyl-dihydro-furan-2-one. This reaction will need reagent Raney nickel. The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
The 2(3H)-Furanone,5-butyldihydro-4-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(CCCC)C(C1)C
(2)InChI: InChI=1/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3
(3)InChIKey: WNVCMFHPRIBNCW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3
(5)Std. InChIKey: WNVCMFHPRIBNCW-UHFFFAOYSA-N