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| CAS No.: | 23676-09-7 |
|---|---|
| Name: | Ethyl 4-etoxybenzoate |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C11H14O3 |
| Molecular Weight: | 194.23 |
| Synonyms: | Benzoicacid, p-ethoxy-, ethyl ester (6CI,7CI,8CI);4-Ethoxy ethylbenzoate;4-Ethoxybenzoic acid ethyl ester;Ethylp-ethoxybenzoate;NSC 405367;p-Ethoxyethyl benzoate;4-Ethoxy ethylbenzoate;Ethyl 4-Ethoxybenzoate; |
| EINECS: | 245-818-0 |
| Density: | 1.053 g/cm3 |
| Melting Point: | 9 °C |
| Boiling Point: | 275 °C at 760 mmHg |
| Flash Point: | 114 °C |
| Solubility: | Not miscible or difficult to mix with water. |
| Appearance: | colourless viscous liquid |
| Risk Codes: | 22 |
| Safety: | 24/25 |
| PSA: | 35.53000 |
| LogP: | 2.26200 |
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Specification
The Benzoic acid,4-ethoxy-, ethyl ester, with the CAS registry number 23676-09-7 and EINECS registry number 245-818-0, has the systematic name of ethyl 4-ethoxybenzoate. It is a kind of colourless viscous liquid, and belongs to the product category of Aromatic Esters. And the molecular formula of this chemical is C11H14O3. In addition, you should avoid contacting with skin and eyes while dealing with it.
The physical properties of Benzoic acid,4-ethoxy-, ethyl ester are as following: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33 ; (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: 21.39×10-24cm3; (13)Surface Tension: 34.9 dyne/cm; (14)Density: 1.053 g/cm3; (15)Flash Point: 114 °C; (16)Enthalpy of Vaporization: 51.34 kJ/mol; (17)Boiling Point: 275 °C at 760 mmHg; (18)Vapour Pressure: 0.00523 mmHg at 25°C.
Preparation of Benzoic acid,4-ethoxy-, ethyl ester: This chemical can be prepared by 4-fluoro-benzoic acid ethyl ester and ethanol; sodium salt. The reaction will need solvent acetonitrile. And the yield is about 75%.
Uses of Benzoic acid,4-ethoxy-, ethyl ester: It can be used to produce 4-hydroxy-benzoic acid ethyl ester. This reaction will need reagents AlCl3 and ethanethiol.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1ccc(cc1)C(=O)OCC
(2)InChI: InChI=1/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
(3)InChIKey: HRAQMGWTPNOILP-UHFFFAOYAQ