1,6-Octadien-3-ol,3,7-dimethyl-, (3S)-

The CAS registry number of 1,6-Octadien-3-ol,3,7-dimethyl-, (3S)- is 126-90-9. The IUPAC name is (3S)-3,7-dimethylocta-1,6-dien-3-ol. Its EINECS registry number is 204-810-7. In addition, the molecular formula is C₁₀H₁₈O and the molecular weight is 154.25. It should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 183.44; (5)ACD/BCF (pH 7.4): 183.44; (6)ACD/KOC (pH 5.5): 1451.47; (7)ACD/KOC (pH 7.4): 1451.47; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.463; (13)Molar Refractivity: 49.5 cm³; (14)Molar Volume: 179.6 cm³; (15)Polarizability: 19.62 ×10^-24cm³; (16)Surface Tension: 28.2 dyne/cm; (17)Density: 0.858 g/cm³; (18)Flash Point: 84.9 °C; (19)Enthalpy of Vaporization: 50.58 kJ/mol; (20)Boiling Point: 198.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0905 mmHg at 25°C.

Preparation of 1,6-Octadien-3-ol,3,7-dimethyl-, (3S)-: it can be prepared by 6-methyl-2-thiiranyl-hept-5-en-2-ol. This reaction will need reagents Bu₃SnH and Et₃B, and solvent toluene. The reaction time is 5 minutes at reaction temperature of 0 °C. The yield is about 84%.

Uses of 1,6-Octadien-3-ol,3,7-dimethyl-, (3S)-: it can be used to get 5-(1-bromo-1-methyl-ethyl)-2-methyl-2-vinyl-tetrahydro-furan. This reaction will need reagent NBS and solvent CH₂Cl₂. The reaction time is 48 hours with ambient temperature. The yield is about 85%.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@](/C=C)(C)CC/C=C(/C)C
(2)InChI: InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1
(3)InChIKey: CDOSHBSSFJOMGT-SNVBAGLBBB