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3943-77-9

Basic Information
CAS No.: 3943-77-9
Name: ETHYL 3,4-DIMETHOXYBENZOATE
Article Data: 54
Molecular Structure:
Molecular Structure of 3943-77-9 (ETHYL 3,4-DIMETHOXYBENZOATE)
Formula: C11H14O4
Molecular Weight: 210.23
Synonyms: Veratricacid, ethyl ester (7CI,8CI);3,4-Dimethoxybenzoic acid ethyl ester;Ethyl3,4-dimethoxybenzoate;
EINECS: 223-526-4
Density: 1.095 g/cm3
Melting Point: 43-44°C
Boiling Point: 295.5 °C at 760 mmHg
Flash Point: 129.5 °C
Safety: 22-24/25
PSA: 44.76000
LogP: 1.88050
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Specification

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: 44.76Å2; (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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 600mg/kg (600mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.