Benzoic acid,2-methoxy-6-methyl-

The Benzoic acid, 2-methoxy-6-methyl-, with the CAS registry number of 6161-65-5, is also known as 2-Methyl-6-methoxybenzoic acid and 6-Methoxy-2-methylbenzoic acid. This chemical's molecular formula is C₉H₁₀O₃ and molecular weight is 166.1739. What's more, its IUPAC name is 2-Methoxy-6-methylbenzoic acid.

Physical properties about Benzoic acid, 2-methoxy-6-methyl- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.172; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.687; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.53 Å²; (12)Index of Refraction: 1.541; (13)Molar Refractivity: 44.686 cm³; (14)Molar Volume: 142.24 cm³; (15)Polarizability: 17.715×10^-24 cm³; (16)Surface Tension: 42.752 dyne/cm; (17)Density: 1.168 g/cm³; (18)Flash Point: 119.357 °C; (19)Enthalpy of Vaporization: 56.559 kJ/mol; (20)Boiling Point: 295.837 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-Methoxy-6-methyl-benzaldehyde at ambient temperature. This reaction needs reagents Sulfamic acid and Sodium chlorite. Meanwhile, it needs solvents Tetrahydrofuran and H₂O. The reaction time is 1 hour. The yield is about 98 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Hydroxy-6-methyl-benzoic acid. The reaction needs reagent Piperazine and solvent N, N-Dimethyl-acetamide. The reaction time is 10 hours with reaction temperature of 150 °C. The yield is about 52 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cccc(c1C(=O)O)OC
(2) InChI: InChI=1/C9H10O3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
(3) InChIKey: MICCJGFEXKNBLU-UHFFFAOYAD