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| CAS No.: | 4660-80-4 |
|---|---|
| Name: | ETHYL 2,3-EPOXYPROPANOATE |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C5H8O3 |
| Molecular Weight: | 116.117 |
| Synonyms: | Glycidicacid, ethyl ester (6CI,7CI,8CI);Oxiranecarboxylic acid, ethyl ester (9CI);(Ethoxycarbonyl)oxirane;Ethyl 2-oxiranecarboxylate;Ethyl glycidate;Ethyloxiranecarboxylate;Oxirane-2-carboxylic acid ethyl ester; |
| EINECS: | 225-105-0 |
| Density: | 1.18 g/cm3 |
| Boiling Point: | 123.1 °C at 760 mmHg |
| Flash Point: | 38.3 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 10-36/38-43 |
| Safety: | 26 |
| Transport Information: | UN 1993 |
| PSA: | 38.83000 |
| LogP: | -0.05170 |
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Specification
The 2-Oxiranecarboxylicacid, ethyl ester, with the CAS registry number of 4660-80-4, is also known as (Ethoxycarbonyl)oxirane. It belongs to the product categories of Pharmacetical; Epoxides; Organic Building Blocks; Oxygen Compounds. Its EINECS registry number is 225-105-0. This chemical's molecular formula is C5H8O3 and molecular weight is 116.12. What's more, its IUPAC name is Ethyl oxirane-2-carboxylate. In addition, it must be stored in airtight containers at 2-8 °C. Meanwhile, it should be avoided contact with oxidant.
Physical properties about 2-Oxiranecarboxylicacid, ethyl ester are: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.27; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.04; (8)ACD/KOC (pH 7.4): 17.04; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.83 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 26.41 cm3; (15)Molar Volume: 98.4 cm3; (16)Surface Tension: 38 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 38.3 °C; (19)Enthalpy of Vaporization: 36.11 kJ/mol; (20)Boiling Point: 123.1 °C at 760 mmHg; (21)Vapour Pressure: 13.5 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C1OC1
(2) InChI: InChI=1/C5H8O3/c1-2-7-5(6)4-3-8-4/h4H,2-3H2,1H3
(3) InChIKey: LSGWSXRILNPXKJ-UHFFFAOYAN