CAS No.112083-63-3,ETHYL (S)-3,4-EPOXYBUTANOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	112083-63-3
Name:	ETHYL (S)-3,4-EPOXYBUTANOATE
Article Data:	13

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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Specification

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