METHYL 2,4-DIMETHOXY-6-METHYLBENZOATE

The Benzoic acid, 2,4-dimethoxy-6-methyl-, methyl ester, with the CAS registry number 6110-37-8, is also known as 2,4-Dimethoxy-6-methylbenzoic acid methyl ester. This chemical's molecular formula is C₁₁H₁₄O₄ and molecular weight is 210.23. What's more, its IUPAC name is methyl 2,4-dimethoxy-6-methylbenzoate. You must not breathe dust. When using it, you should avoid contact with skin and eyes. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.

Physical properties of Benzoic acid, 2,4-dimethoxy-6-methyl-, methyl ester are: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.29; (6)ACD/BCF (pH 7.4): 43.29; (7)ACD/KOC (pH 5.5): 516.31; (8)ACD/KOC (pH 7.4): 516.31; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 56.2 cm³; (15)Molar Volume: 191.6 cm³; (16)Polarizability: 22.28×10^-24cm³; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 1.097 g/cm³; (19)Flash Point: 140.2 °C; (20)Enthalpy of Vaporization: 56.18 kJ/mol; (21)Boiling Point: 320.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000323 mmHg at 25°C.

Preparation of Benzoic acid, 2,4-dimethoxy-6-methyl-, methyl ester: this chemical can be prepared by sulfuric acid dimethyl ester and 2,4-dihydroxy-6-methyl-benzoic acid methyl ester by heating. This reaction will need reagent K₂CO₃ and solvent acetone with the reaction time of 24 hours. The yield is about 97%.

Uses of Benzoic acid, 2,4-dimethoxy-6-methyl-, methyl ester: it can be used to produce 3-Formyl-4,6-dimethoxy-2-methyl-benzoesaeuremethylester by heating. It will need reagent SnCl₄ and solvent CH₂Cl₂ with the reaction time of 1.5 hours. The yield is about 96%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC(=C1C(=O)OC)OC)OC
(2)InChI: InChI=1S/C11H14O4/c1-7-5-8(13-2)6-9(14-3)10(7)11(12)15-4/h5-6H,1-4H3
(3)InChIKey: QCEODMDPMRZZDI-UHFFFAOYSA-N