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5432-17-7

Basic Information
CAS No.: 5432-17-7
Name: ETHYL M-ETHOXYBENZOATE
Article Data: 9
Molecular Structure:
Molecular Structure of 5432-17-7 (ETHYL M-ETHOXYBENZOATE)
Formula: C11H14O3
Molecular Weight: 194.23
Synonyms: Ethyl 3-ethoxybenzoate;NSC 7016;Ethyl m-ethoxybenzoate;
Density: 1.053 g/cm3
Boiling Point: 264 °C at 760 mmHg
Flash Point: 110.3 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 23-26-36
PSA: 35.53000
LogP: 2.26200
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Specification

The Benzoic acid,3-ethoxy-, ethyl ester, with the CAS registry number 5432-17-7, is also known as Ethyl m-ethoxybenzoate. This chemical's molecular formula is C11H14O3 and molecular weight is 194.23. What's more, its systematic name is Ethyl 3-ethoxybenzoate and it belongs to the product categories of C10 to C11; Carbonyl Compounds; Esters. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected light.

Physical properties of Benzoic acid,3-ethoxy-, ethyl ester are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 35.53 Å2; (9)Index of Refraction: 1.497; (10)Molar Refractivity: 53.97 cm3; (11)Molar Volume: 184.3 cm3; (12)Polarizability: 21.39×10-24 cm3; (13)Surface Tension: 34.9 dyne/cm; (14)Density: 1.053 g/cm3; (15)Flash Point: 110.3 °C; (16)Enthalpy of Vaporization: 50.19 kJ/mol; (17)Boiling Point: 264 °C at 760 mmHg; (18)Vapour Pressure: 0.00996 mmHg at 25°C.

Preparation: this chemical can be prepared by iodoethane and 3-hydroxy-benzoic acid at the temperature of 60 °C. This reaction will need reagent K2CO3 and solvent dimethylformamide with the reaction time of 3 hours. The yield is about 93%.

Benzoic acid,3-ethoxy-, ethyl ester can be prepared by iodoethane and 3-hydroxy-benzoic acid at the temperature of 60 °C

Uses of Benzoic acid,3-ethoxy-, ethyl ester: it can be used to produce 3-ethoxy-benzoic acid by heating. It will need reagent aq. 0.1 N NaOH with the reaction time of 1 hour. The yield is about 90%.

Benzoic acid,3-ethoxy-, ethyl ester can be used to produce 3-ethoxy-benzoic acid by heating

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you can't breathe gas/fumes/vapour/spray and you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1cc(ccc1)C(=O)OCC
(2)InChI: InChI=1S/C11H14O3/c1-3-13-10-7-5-6-9(8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
(3)InChIKey: BQXRZUDSLFBQDX-UHFFFAOYSA-N