Benzeneethanol,3-methyl- (1875-89-4)

The 3-Methylphenethyl alcohol, with the CAS registry number 1875-89-4, is also known as m-Methylphenethyl alcohol and Benzeneethanol, 3-methyl-. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohols; C9 to C30 and Oxygen Compounds. Its EINECS registry number is 217-508-5. This chemical's molecular formula is C₉H₁₂O and molecular weight is 136.19. What's more, both its IUPAC name and systematic name are the same which is called 2-(3-Methylphenyl)ethanol. This chemical is clear slightly yellow liquid.

Physical properties about this chemical 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) Polar Surface Area: 9.23 Å²; (13) Index of Refraction: 1.532; (14) Molar Refractivity: 42.16 cm³; (15) Molar Volume: 136 cm³; (16) Surface Tension: 38.2 dyne/cm; (17) Density: 1.001 g/cm³; (18) Flash Point: 109.4 °C; (19) Enthalpy of Vaporization: 50.78 kJ/mol; (20) Boiling Point: 243.5 °C at 760 mmHg; (21) Vapour Pressure: 0.0172 mmHg at 25 °C.

Preparation of 3-Methylphenethyl alcohol : this chemical is prepared by reaction of m-Tolyl-acetic acid ethyl ester.



This reaction needs reagent Lithium aluminum hydride and solvent Tetrahydrofuran in condition of heating. The reaction time is 4.0 hours. The yield is 89 %.

Uses of 3-Methylphenethyl alcohol: it is used to produce other chemicals. For example, it is used to produce N-[2-(3-Methylphenyl)ethoxy]phthalimide.



The reaction occurs with reagent Diethyl azodicarboxylate, Triphenylphosphine and other condition of ambient temperature for 16 hours. The yield is 96%.

When you are dealing with this chemical, please be cautious about it. You should be very careful and avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) 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