4-Phenyl-2-butanol

The CAS registry number of 4-Phenyl-2-butanol is 2344-70-9. Its EINECS registry number is 219-055-9. The IUPAC name is 4-phenylbutan-2-ol. In addition, the molecular formula is C₁₀H₁₄O. What's more, it is a kind of clear colourless liquid which can be used as a pharmaceutical intermediate and food flavor. Besides, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 28.98; (5)ACD/BCF (pH 7.4): 28.98; (6)ACD/KOC (pH 5.5): 387.41; (7)ACD/KOC (pH 7.4): 387.41; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 46.56 cm³; (14)Molar Volume: 153.1 cm³; (15)Polarizability: 18.45 ×10^-24cm³; (16)Surface Tension: 36.9 dyne/cm; (17)Density: 0.98 g/cm³; (18)Flash Point: 106.2 °C; (19)Enthalpy of Vaporization: 51.06 kJ/mol; (20)Boiling Point: 246.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0147 mmHg at 25°C.

Preparation of 4-Phenyl-2-butanol: it can be prepared by 4-phenyl-butan-2-one. This reaction will need reagents NaBH₄ and Dowex1-x8 and solvent tetrahydrofuran. The reaction time is 4.3 hours by heating. The yield is about 97%.

Uses of 4-Phenyl-2-butanol: it can be used to get (3-bromo-butyl)-benzene. This reaction will need reagents 1,2-dibromotetrachloroethane and diphos, and solvent tetrahydrofuran. The yield is about 67% at reaction temperature of 20 °C.

When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(CCc1ccccc1)C
(2)InChI: InChI=1/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
(3)InChIKey: GDWRKZLROIFUML-UHFFFAOYAO