2-METHYL-2-OCTANOL

The 2-Octanol, 2-methyl-, with the CAS registry number of 628-44-4, is also known as 2-Methyloctane-2-ol. Its EINECS registry number is 211-044-7. This chemical's molecular formula is C₉H₂₀O and molecular weight is 144.2545. What's more, its IUPAC name is 2-Methyloctan-2-ol.

Physical properties about 2-Octanol, 2-methyl- are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 150.07; (6)ACD/BCF (pH 7.4): 150.07; (7)ACD/KOC (pH 5.5): 1257.16; (8)ACD/KOC (pH 7.4): 1257.16; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 45.24 cm³; (15)Molar Volume: 174.6 cm³; (16)Polarizability: 17.93×10^-24 cm³; (17)Surface Tension: 28 dyne/cm; (18)Density: 0.825 g/cm³; (19)Flash Point: 71.1 °C; (20)Enthalpy of Vaporization: 48.23 kJ/mol; (21)Boiling Point: 178 °C at 760 mmHg; (22)Vapour Pressure: 0.305 mmHg at 25°C.

Preparation: this chemical is prepared by Octan-2-one. The reaction needs solvent Tetrahydrofuran. This reaction needs two steps, the reaction conditions are 1.) -78 °C to 66 °C, 1 hour; 2.) 66 °C, 3 hours. The yield is about 69%.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Chloro-2-methyl-octane. This reaction needs reagent concentrated Hydrochloric acid. The reaction time is 10 minutes. The yield is about 82%.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(C)(CCCCCC)C
(2) InChI: InChI=1/C9H20O/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3
(3) InChIKey: KBCNUEXDHWDIFX-UHFFFAOYAX