3-Methylphenethyl alcohol

The 3-Methylphenethyl alcohol with CAS registry number of 1875-89-4 is also known as Benzeneethanol,3-methyl-. The IUPAC name is 2-(3-Methylphenyl)ethanol. It belongs to product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohols; C9 to C30; Oxygen Compounds. Its EINECS registry number is 217-508-5. In addition, the formula is C₉H₁₂O and the molecular weight is 136.19. This chemical is a clear slightly yellow liquid that should be sealed in ventilated, cool place away from oxidants. During using it, avoid contact with skin and eyes.

Physical properties about 3-Methylphenethyl alcohol are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 14.21; (6)ACD/BCF (pH 7.4): 14.21; (7)ACD/KOC (pH 5.5): 232.59; (8)ACD/KOC (pH 7.4): 232.59; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 42.16 cm³; (14)Molar Volume: 136 cm³; (15)Surface Tension: 38.2 dyne/cm; (16)Density: 1.001 g/cm³; (17)Flash Point: 109.4 °C; (18)Enthalpy of Vaporization: 50.78 kJ/mol; (19)Boiling Point: 243.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0172 mmHg at 25 °C.

Preparation of 3-Methylphenethyl alcohol: it is prepared by reaction of m-tolyl-acetic acid ethyl ester. The reaction needs reagent lithium aluminum hydride and solvent tetrahydrofuran with other condition of heating. The yield is about 89 %.

Uses of 3-Methylphenethyl alcohol: it is used to produce N-[2-(3-methylphenyl)ethoxy]phthalimide by reaction with N-hydroxy-phthalimide. The reaction occurs with reagents diethyl azodicarboxylate, triphenylphosphine and solvent tetrahydrofuran with other condition of ambient temperature for 16 hours. The yield is about 96 %.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=CC(=CC=C1)CCO
2. InChI: InChI=1S/C9H12O/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7,10H,5-6H2,1H3
3. InChIKey: KWHVBVJDKLSOTB-UHFFFAOYSA-N