Ethyl 3,4-dimethoxybenzoate (3943-77-9)

The CAS register number of Ethyl 3,4-dimethoxybenzoate is 3943-77-9. It also can be called as Benzoic acid, 3,4-dimethoxy-, ethyl ester and the IUPAC name about this chemical is ethyl 3,4-dimethoxybenzoate. When you are using it, please avoid contact with skin and eyes and do not breathe dust.

Physical properties about Ethyl 3,4-dimethoxybenzoate are: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 2.59; (3)ACD/LogD (pH 7.4): 2.59; (4)#H bond acceptors: 4; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 44.76Ų; (7)Index of Refraction: 1.495; (8)Molar Refractivity: 56.01 cm³; (9)Molar Volume: 191.8 cm³; (10)Polarizability: 22.2x10^-24cm³; (11)Surface Tension: 34.5 dyne/cm; (12)Enthalpy of Vaporization: 53.52 kJ/mol; (13)Boiling Point: 295.5 °C at 760 mmHg; (14)Vapour Pressure: 0.00152 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,4-dimethoxy-benzoic acid and ethanol. This reaction will need reagent hydrogen chloride.

Uses of Ethyl 3,4-dimethoxybenzoate: it can be used to produce N-hydroxy-3,4-dimethoxy-benzamide at ambient temperature. This reaction will need reagent HONH₂*HCl, KOH and solvent methanol with reaction time of 36 hours. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(ccc1OC)C(=O)OCC
(2)InChI: InChI=1/C11H14O4/c1-4-15-11(12)8-5-6-9(13-2)10(7-8)14-3/h5-7H,4H2,1-3H3
(3)InChIKey: AYYNUGSDPRDVCH-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H14O4/c1-4-15-11(12)8-5-6-9(13-2)10(7-8)14-3/h5-7H,4H2,1-3H3
(5)Std. InChIKey: AYYNUGSDPRDVCH-UHFFFAOYSA-N

The toxicity data is as follows: