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CAS No.: | 112083-63-3 |
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Name: | ETHYL (S)-3,4-EPOXYBUTANOATE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C6H10O3 |
Molecular Weight: | 130.144 |
Synonyms: | (S)-Ethyl 2-(oxiran-2-yl)acetate;Oxiraneacetic acid, ethyl ester, (S)-;Oxiraneaceticacid, ethyl ester, (2S)- (9CI); |
Density: | 1.1 g/cm3 |
Boiling Point: | 158.257 °C at 760 mmHg |
Flash Point: | 73.463 °C |
Solubility: | Decomposes in water. |
Appearance: | clear colorless liquid |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36/37 |
PSA: | 38.83000 |
LogP: | 0.33840 |
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This chemical is called Ethyl 2-[(2S)-oxiran-2-yl]acetate, and its CAS registry number is 112083-63-3. With the molecular formula of C6H10O3, its product categories are Chiral Compounds; Epoxides; Heterocycles. In addition, this chemical should be sealed at temperature 2-8°C, away from oxides and air.
Other characteristics of the Ethyl 2-[(2S)-oxiran-2-yl]acetate can be summarised as followings: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 61; (8)ACD/KOC (pH 7.4): 61; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.83 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 31.196 cm3; (15)Molar Volume: 118.351 cm3; (16)Polarizability: 12.367×10-24cm3; (17)Surface Tension: 37.628 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 73.463 °C; (20)Enthalpy of Vaporization: 39.492 kJ/mol; (21)Boiling Point: 158.257 °C at 760 mmHg; (22)Vapour Pressure: 2.649 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)CC1CO1
2.InChI: InChI=1/C6H10O3/c1-2-8-6(7)3-5-4-9-5/h5H,2-4H2,1H3/t5-/m0/s1
3.InChIKey: WHUSTVAXKRFVPD-YFKPBYRVBG