3-METHOXY-5-METHYLPHENOL

The Phenol,3-methoxy-5-methyl-, with the CAS registry number 3209-13-0 and EINECS registry number 221-716-1, has the systematic name and IUPAC name of 3-methoxy-5-methylphenol. It belongs to the product category of Aromatics. And the molecular formula of the chemical is C₈H₁₀O₂.

The characteristics of Phenol,3-methoxy-5-methyl- are as followings: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.68; (6)ACD/BCF (pH 7.4): 18.58; (7)ACD/KOC (pH 5.5): 282.88; (8)ACD/KOC (pH 7.4): 281.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)olar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 39.63 cm³; (15)Molar Volume: 128.1 cm³; (16)Polarizability: 15.71×10^-24cm³; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.078 g/cm³; (19)Flash Point: 135.6 °C; (20)Enthalpy of Vaporization: 51.31 kJ/mol; (21)Boiling Point: 255.7 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C. 

Preparation of Phenol,3-methoxy-5-methyl-: This chemical can be prepared by methanol and 3-oxo-5-methyl-1-cyclohexen-1-ol. The reaction will need reagent I₂. The reaction time is 0.5 hours with heating, and the yield is about 87%. 

Uses of Phenol,3-methoxy-5-methyl-: It can react with Benzyl-2-brom-4-methoxy-6-methylbenzoat to produce 4-methoxy-2-(3-methoxy-5-methyl-phenoxy)-6-methyl-benzoic acid benzyl ester. This reaction will need reagent K₂CO₃ and CuO, and the menstruum pyridine. The reaction time is 18 hours with heating, and the yield is about 58%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1cc(cc(OC)c1)C
(2)InChI: InChI=1/C8H10O2/c1-6-3-7(9)5-8(4-6)10-2/h3-5,9H,1-2H3
(3)InChIKey: NOTCZLKDULMKBR-UHFFFAOYAR