4-METHOXYPHENETHYL ALCOHOL

The CAS register number of Benzeneethanol,4-methoxy- is 702-23-8. It also can be called as 4-Methoxyphenethylalcohol and the IUPAC name about this chemical is 2-(4-methoxyphenyl)ethanol. The molecular formula about this chemical is C₉H₁₂O₂ and the molecular weight is 152.19. It belongs to the following product categories which include Benzhydrols, Benzyl & Special Alcohols and so on. If you want to use this chemical, avoid contact with skin and eyes. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide.

Physical properties about Benzeneethanol,4-methoxy- are: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 1.27; (3)ACD/LogD (pH 7.4): 1.27; (4)ACD/BCF (pH 5.5): 5.48; (5)ACD/BCF (pH 7.4): 5.48; (6)ACD/KOC (pH 5.5): 117.56; (7)ACD/KOC (pH 7.4): 117.56; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46 Å²; (12)Index of Refraction: 1.524; (13)Molar Refractivity: 44.01 cm³; (14)Molar Volume: 143.7 cm³; (15)Polarizability: 17.44x10^-24cm³; (16)Surface Tension: 38.1 dyne/cm; (17)Density: 1.058 g/cm³; (18)Flash Point: 110.2 °C; (19)Enthalpy of Vaporization: 52.3 kJ/mol; (20)Boiling Point: 257.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00745 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-acetoxy-2-(4-methoxy-phenyl)-ethane. This reaction will need reagents of Mg(OMe)₂, 2-phenyl-2-propyl acetate and solvent of methanol. The reaction time is 6 hours with ambient temperature. The yield is about 94%.

Uses of Benzeneethanol,4-methoxy-: it can be used to produce 1-(2-bromo-ethyl)-4-methoxy-benzene. This reaction will need reagents of PBr₃, pyridine and solvent of benzene. The reaction temperature is 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)CCO)C
(2)InChI: InChI=1/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3
(3)InChIKey: AUWDOZOUJWEPBA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H12O2/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3
(5)Std. InChIKey: AUWDOZOUJWEPBA-UHFFFAOYSA-N