Ethyl 3,4-dimethoxybenzoate supplier

Name
ETHYL 3,4-DIMETHOXYBENZOATE
EINECS 223-526-4
CAS No. 3943-77-9
Article Data54
CAS DataBase
Density 1.095 g/cm³
Solubility
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
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Veratricacid, ethyl ester (7CI,8CI);3,4-Dimethoxybenzoic acid ethyl ester;Ethyl3,4-dimethoxybenzoate;
PSA 44.76000
LogP 1.88050

Ethyl 3,4-dimethoxybenzoate 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.

Product Name

ETHYL 3,4-DIMETHOXYBENZOATE

Ethyl 3,4-dimethoxybenzoate Specification

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