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Name |
Ethyl 3-ethyl-5-methyl-4-isoxazolecarboxylate |
EINECS | -0 |
CAS No. | 53064-41-8 | Density | 1.084 g/cm3 |
PSA | 52.33000 | LogP | 1.72210 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H13NO3 | Boiling Point | 280.5 °C at 760 mmHg |
Molecular Weight | 183.2 | Flash Point | 123.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Isoxazolecarboxylic acid, 3-ethyl-5-methyl-, ethyl ester; |
Article Data | 3 |
The Ethyl 3-ethyl-5-methyl-4-isoxazolecarboxylate, with the CAS registry number 53064-41-8, is also known as 4-Isoxazolecarboxylic acid, 3-ethyl-5-methyl-, ethyl ester. This chemical's molecular formula is C9H13NO3 and molecular weight is 183.2. What's more, its IUPAC name is Ethyl 3-ethyl-5-methyl-1, 2-oxazole-4-carboxylate. During using it, you should avoid contacting with skin and eyes. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.
Physical properties about Ethyl 3-ethyl-5-methyl-4-isoxazolecarboxylate are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.33 Å2; (7)Index of Refraction: 1.473; (8)Molar Refractivity: 47.42 cm3; (9)Molar Volume: 168.9 cm3; (10)Polarizability: 18.8×10-24 cm3; (11)Surface Tension: 36.1 dyne/cm; (12)Density: 1.084 g/cm3; (13)Flash Point: 123.4 °C; (14)Enthalpy of Vaporization: 51.92 kJ/mol; (15)Boiling Point: 280.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00377 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1c(onc1CC)C
(2) InChI: InChI=1/C9H13NO3/c1-4-7-8(6(3)13-10-7)9(11)12-5-2/h4-5H2,1-3H3
(3) InChIKey: JDWLDZUUTIPZHV-UHFFFAOYAB