BETA-ETHYLPHENETHYL ALCOHOL 98

The DL-β-Ethylphenethyl alcohol, with the CAS registry number 2035-94-1, is also known as 1-Hydroxy-2-phenylbutane. This chemical's molecular formula is C₁₀H₁₄O and molecular weight is 150.22. What's more, its systematic name is 2-phenylbutan-1-ol. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxidants.

Physical properties of DL-β-Ethylphenethyl alcohol are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/BCF (pH 5.5): 29.56; (5)ACD/KOC (pH 5.5): 392.96; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 9.23 Å²; (10)Index of Refraction: 1.519; (11)Molar Refractivity: 46.6 cm³; (12)Molar Volume: 153.5 cm³; (13)Polarizability: 18.47×10^-24cm³; (14)Surface Tension: 37 dyne/cm; (15)Density: 0.978 g/cm³; (16)Flash Point: 83.5 °C; (17)Enthalpy of Vaporization: 49.86 kJ/mol; (18)Boiling Point: 235 °C at 760 mmHg; (19)Vapour Pressure: 0.0283 mmHg at 25°C.

Preparation of DL-β-Ethylphenethyl alcohol: this chemical can be prepared by 2-phenyl-butyraldehyde by heating. This reaction will need reagent 2-propanol with the reaction time of 6 hours. This reaction will also need catalyst hydrous zirconium oxide. The yield is about 81%.

Uses of DL-β-Ethylphenethyl alcohol: it can be used to produce 1-phenyl-propan-1-one at the temperature of 20 °C. It will need reagent 3 eq. PCC mol. sieves and solvents CH₂Cl₂ with the reaction time of 10 hours. The yield is about 68%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(CO)C1=CC=CC=C1
(2)InChI: InChI=1S/C10H14O/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3
(3)InChIKey: DNHNBMQCHKKDNI-UHFFFAOYSA-N