Benzeneethanol,4-hydroxy-3-methoxy- (2380-78-1)

The CAS register number of Homovanillyl alcohol is 2380-78-1. It also can be called as 4-Hydroxy-3-methoxyphenethyl alcohol and the IUPAC name about this chemical is 4-(2-hydroxyethyl)-2-methoxyphenol. It belongs to the following product categories, such as Benzhydrols, Benzyl & Special Alcohols, Alcohols, Anisoles, Alkyloxy Compounds & Phenylacetates, Fluorine Compounds, Bromine Compounds, Iodine Compounds and so on. This chemical is a metabolite of serotonin and norepinephrine.

Physical properties about Homovanillyl alcohol are: (1)ACD/LogP: 0.33; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/LogD (pH 7.4): 0.33; (4)ACD/BCF (pH 5.5): 1.04; (5)ACD/BCF (pH 7.4): 1.04; (6)ACD/KOC (pH 5.5): 35.9; (7)ACD/KOC (pH 7.4): 35.85; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 27.69Ų; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 45.89 cm³; (14)Molar Volume: 142.1 cm³; (15)Polarizability: 18.19x10^-24cm³; (16)Surface Tension: 46.9 dyne/cm; (17)Enthalpy of Vaporization: 58.93 kJ/mol; (18)Boiling Point: 316.8 °C at 760 mmHg; (19)Vapour Pressure: 0.000169 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-benzyloxy-3-methoxyphenethyl alcohol. This reaction will need reagent H₂, catalyst 5percent Pd/C and solvent methanol. The reaction time is 1 hour(s) with reaction pressure of 750.06. The yield is about 91 %.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1OC)CCO
(2)InChI: InChI=1/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
(3)InChIKey: XHUBSJRBOQIZNI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
(5)Std. InChIKey: XHUBSJRBOQIZNI-UHFFFAOYSA-N