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| CAS No.: | 111058-33-4 |
|---|---|
| Name: | ETHYL (2R)-2,3-EPOXYPROPANOATE |
| Article Data: | 8 |
| Molecular Structure: | |
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|
|
| Formula: | C5H8O3 |
| Molecular Weight: | 116.117 |
| Synonyms: | Oxiranecarboxylicacid, ethyl ester, (2R)- (9CI);Oxiranecarboxylic acid, ethyl ester, (R)-;Ethyl (2R)-oxirane-2-carboxylate;Ethyl (R)-(+)-glycidate;Ethyl(R)-2,3-epoxypropanoate; |
| Density: | 1.18 g/cm3 |
| Boiling Point: | 123.1 °C at 760 mmHg |
| Flash Point: | 38.3 °C |
| Appearance: | clear colorless to pink or yellowish liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-10 |
| Safety: | 16 |
| PSA: | 38.83000 |
| LogP: | -0.05170 |
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Specification
The 2-Oxiranecarboxylicacid, ethyl ester, (2R)-, with the CAS registry number 111058-33-4, has the systematic name of ethyl (2R)-oxirane-2-carboxylate. It is a kind of clear colorless to pink or yellowish liquid, and should be stored in the refrigerator (+4°C). And the molecular formula of this chemical is C5H8O3.
The physical properties of 2-Oxiranecarboxylicacid, ethyl ester, (2R)- are as following: (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)Polarizability: 10.47×10-24cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 38.3 °C; (20)Enthalpy of Vaporization: 36.11 kJ/mol; (21)Boiling Point: 123.1 °C at 760 mmHg; (22)Vapour Pressure: 13.5 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical, and it is also harmful if swallowed. Therefore, you had better keep it away from sources of ignition, and do not smoking.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)[C@@H]1OC1
(2)InChI: InChI=1/C5H8O3/c1-2-7-5(6)4-3-8-4/h4H,2-3H2,1H3/t4-/m1/s1
(3)InChIKey: LSGWSXRILNPXKJ-SCSAIBSYBJ