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| CAS No.: | 817-95-8 |
|---|---|
| Name: | Ethyl ethoxyacetate |
| Molecular Structure: | |
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| Formula: | C6H12O3 |
| Molecular Weight: | 132.159 |
| Synonyms: | Aceticacid, ethoxy-, ethyl ester (6CI,7CI,8CI,9CI);Ethoxyacetic acid ethyl ester;Ethyl ethoxyacetate;NSC 83555;a-Ethoxyacetic acid ethyl ester; |
| EINECS: | 212-447-0 |
| Density: | 0.975 g/cm3 |
| Boiling Point: | 158 °C at 760 mmHg |
| Flash Point: | 48.3 °C |
| Solubility: | insoluble |
| Appearance: | clear colorless liquid |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 3272 |
| PSA: | 35.53000 |
| LogP: | 0.58600 |
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Specification
The Ethyl ethoxyacetate, with the CAS registry number 817-95-8, is also known as Acetic acid, ethoxy-, ethyl ester. Its EINECS registry number is 212-447-0. This chemical's molecular formula is C6H12O3 and molecular weight is 132.15768. Its IUPAC name is called ethyl 2-ethoxyacetate. When you are using this chemical, please be cautious about it. This chemical is flammable. You should keep it away from sources of ignition - No smoking. This chemical can be used as intermediates in organic synthesis. Physical properties of Ethyl ethoxyacetate: (1)ACD/LogP: 1.08; (2)ACD/LogD (pH 5.5): 1.08; (3)ACD/LogD (pH 7.4): 1.08; (4)ACD/BCF (pH 5.5): 3.87; (5)ACD/BCF (pH 7.4): 3.87; (6)ACD/KOC (pH 5.5): 91.73; (7)ACD/KOC (pH 7.4): 91.73; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.4; (11)Molar Refractivity: 33.36 cm3; (12)Molar Volume: 137.4 cm3; (13)Surface Tension: 27.6 dyne/cm; (14)Density: 0.961 g/cm3; (15)Flash Point: 48.3 °C; (16)Enthalpy of Vaporization: 39.47 kJ/mol; (17)Boiling Point: 158 °C at 760 mmHg; (18)Vapour Pressure: 2.68 mmHg at 25°C. Preparation: this chemical can be prepared by diazoacetic acid ethyl ester and ethanol. This reaction will need reagent PtCl2. Uses of Ethyl ethoxyacetate: it can be used to produce ethoxy-bromo-acetic acid ethyl ester. This reaction will need reagent tetrachloromethane and bromine. You can still convert the following datas into molecular structure:.png)
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(1)Canonical SMILES: CCOCC(=O)OCC
(2)InChI: InChI=1S/C6H12O3/c1-3-8-5-6(7)9-4-2/h3-5H2,1-2H3
(3)InChIKey: CKSRFHWWBKRUKA-UHFFFAOYSA-N