2-(4-METHYLPHENYL)ETHANOL

The Benzeneethanol,4-methyl- with CAS registry number of 699-02-5 is also known as 4-Methylphenethanol. The IUPAC name is 2-(4-Methylphenyl)ethanol. It belongs to product categories of Alcohols; C9 to C30; Oxygen Compounds. Its EINECS registry number is 211-824-7. In addition, the formula is C₉H₁₂O and the molecular weight is 136.19. This chemical is a clear colorless to faintly yellow liquid that should be sealed in cool, dry place away from oxidants. What's more, avoid contact with skin and eyes when you are using it.

Physical properties about Benzeneethanol,4-methyl- 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: 107.2 °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 Benzeneethanol,4-methyl-: it is prepared by reaction of 2-chloro-1-p-tolyl-ethanone. Meanwhile, the reaction generates by-product 1-(2-iodo-ethyl)-4-methyl-benzene as well. The reaction needs reagents sodium cyanoborohydride, zinc iodide and solvent 1,2-dichloro-ethane with other condition of heating for 36 hours. The yield is about 21 %

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Uses of Benzeneethanol,4-methyl-: it is used to produce 4-methyl-benzaldehyde. The reaction occurs with reagents 3 eq. PCC, mol. sieves and solvent CH₂Cl₂ at the temperature of 20 °C for 8 hours. The yield is about 66 %.

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