(S)-(+)-4-PHENYL-2-BUTANOL

The Benzenepropanol, α-methyl-, (αS)- is an organic compound with the formula C₁₀H₁₄O. The IUPAC name of this chemical is (2S)-4-phenylbutan-2-ol. With the CAS registry number 22148-86-3, it is also named as (S)-(+)-4-Phenylbutan-2-ol. The categories of the product are Alcohols; Chiral Building Blocks; Organic Building Blocks. Besides, it should be stored in a cool, sealed and dry place.

The physical properties of Benzenepropanol, α-methyl-, (αS)- are: (1)ACD/LogP: 2.23; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 9.23 Å²; (6)Index of Refraction: 1.52; (7)Molar Refractivity: 46.56 cm³; (8)Molar Volume: 153.1 cm³; (9)Polarizability: 18.45×10^-24 cm³; (10)Surface Tension: 36.9 dyne/cm; (11)Density: 0.98 g/cm³; (12)Flash Point: 106.2 °C; (13)Enthalpy of Vaporization: 51.06 kJ/mol; (14)Boiling Point: 246.1 °C at 760 mmHg; (15)Vapour Pressure: 0.0147 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-Phenyl-butan-2-one. This reaction will need reagent Geotrichum candidum IFO 5767 and XAD-7 and solvent H₂O. The reaction time is 1 day with reaction temperature of 30 °C. The yield is about 90%.

Uses of Benzenepropanol, α-methyl-, (αS)-: it and Acetic acid anhydride can be used to produce Acetic acid 1-methyl-3-phenyl-propyl ester. It will need reagent pyridine with reaction time of 5 hours. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation and if swallowed.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H](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/t9-/m0/s1
(3)InChIKey: GDWRKZLROIFUML-VIFPVBQEBI
(4)Std. InChI: InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m0/s1
(5)Std. InChIKey: GDWRKZLROIFUML-VIFPVBQESA-N