(-)-MYRTENOL, 97

The Bicyclo[3.1.1]hept-2-ene-2-methanol,6,6-dimethyl-, with the CAS registry number 515-00-4, is also known as (-)-Pin-2-ene-10-ol. It belongs to the product categories of Alphabetical Listings; Flavors and Fragrances; M-N. Its EINECS registry number is 208-193-5. This chemical's molecular formula is C₁₀H₁₆O and molecular weight is 152.2334. What's more, both its IUPAC name and systematic name are the same which is called (6,6-Dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methanol. Besides, it must be stored in sealed container and palced in a cool, dry place. Storage place must stay away from oxidant, light, heat.

Physical properties about this chemical are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 164.89; (6)ACD/BCF (pH 7.4): 164.89; (7)ACD/KOC (pH 5.5): 1344.87; (8)ACD/KOC (pH 7.4): 1344.87; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.504; (14) Molar Refractivity: 45.48 cm³; (15)Molar Volume: 153.4 cm³; (16)Polarizability: 18.03×10^-24 cm³; (17)Surface Tension: 31.8; (18)dyne/cm Density: 0.991 g/cm³; (19)Flash Point: 89.4 °C; (20)Enthalpy of Vaporization: 53.64 kJ/mol; (21)Boiling Point: 224.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0179 mmHg at 25 °C.

Preparation of Bicyclo[3.1.1]hept-2-ene-2-methanol,6,6-dimethyl-: this chemical can be prepared by Pin-2-ene. This reaction needs reagent 2-(N-Oxido)pyridineseleninic anhydride and solvent CH₂Cl₂ at temperature of 20 °C. The reaction time is 18 hours. The yield is 57 %.

Use of Bicyclo[3.1.1]hept-2-ene-2-methanol,6,6-dimethyl-: it is used to produce other chemicals. For example, it is used to produce Pin-2-en-10-al. The reaction occurs with reagents NaH, Triphenylphosphine, Bromobenzene and other condition of heating for 1 hour. The yield is 100 %.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC/1=C/CC2CC\1C2(C)C
(2) InChI: InChI=1/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
(3) InChIKey: RXBQNMWIQKOSCS-UHFFFAOYAN