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Name |
Ethyl 3,4-dimethoxybenzoate |
EINECS | 223-526-4 |
CAS No. | 3943-77-9 | Density | 1.095 g/cm3 |
PSA | 44.76000 | LogP | 1.88050 |
Solubility | N/A | Melting Point |
43-44°C |
Formula | C11H14O4 | Boiling Point | 295.5 °C at 760 mmHg |
Molecular Weight | 210.23 | Flash Point | 129.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Veratricacid, ethyl ester (7CI,8CI);3,4-Dimethoxybenzoic acid ethyl ester;Ethyl3,4-dimethoxybenzoate; |
Article Data | 54 |
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. |