METHYL 2,5-DIMETHOXYBENZOATE

The Benzoic acid, 2, 5-dimethoxy-, methyl ester, with the CAS registry number 2150-40-5, is also known as 2, 5-Dimethoxybenzoic acid methyl ester. This chemical's molecular formula is C₁₀H₁₂O₄ and molecular weight is 196.20. What's more, its IUPAC name is Methyl 2, 5-dimethoxybenzoate.

Physical properties about Benzoic acid, 2, 5-dimethoxy-, methyl ester are: (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): 1.98; (5)ACD/BCF (pH 5.5): 18.76; (6)ACD/BCF (pH 7.4): 18.76; (7)ACD/KOC (pH 5.5): 283.82; (8)ACD/KOC (pH 7.4): 283.82; (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: 1.497; (14)Molar Refractivity: 51.38 cm³; (15)Molar Volume: 175.3 cm³; (16)Polarizability: 20.36×10^-24 cm³; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 1.119 g/cm³; (19)Flash Point: 129 °C; (20)Enthalpy of Vaporization: 53.65 kJ/mol; (21)Boiling Point: 296.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00141 mmHg at 25 °C.

Preparation of Benzoic acid, 2, 5-dimethoxy-, methyl ester: this chemical is prepared by reaction of 2, 5-Dihydroxy-benzoic acid with Sulfuric acid dimethyl ester. The reaction needs reagent 50 % aq. KOH and solvent Ethanol. The reaction temperature is 50-60 °C. The yield is about 89.9 %.

Uses of Benzoic acid, 2, 5-dimethoxy-, methyl ester: it is used to produce other chemicals. For example, it is used to produce 2, 5-Dimethoxy-benzoic acid amide at ambient temperature. The reaction needs reagent conc. NH₄OH. The yield is about 96 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1cc(OC)ccc1OC
(2) InChI: InChI=1/C10H12O4/c1-12-7-4-5-9(13-2)8(6-7)10(11)14-3/h4-6H,1-3H3
(3) InChIKey: AKAPOSLZQKGWGT-UHFFFAOYAP