Ethyl 5-isopropyl-3-isoxazolecarboxylate supplier

Name
Ethyl 5-isopropyl-3-isoxazolecarboxylate
EINECS
CAS No. 91240-30-1
Article Data6
CAS DataBase
Density 1.078 g/cm³
Solubility
Melting Point
Formula C₉H₁₃NO₃
Boiling Point 267 °C at 760 mmHg
Molecular Weight 183.207
Flash Point 115.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Isoxazolecarboxylicacid, 5-isopropyl-, ethyl ester (7CI);Ethyl 5-isopropylisoxazole-3-carboxylate;
PSA 52.33000
LogP 1.97470

Ethyl 5-isopropyl-3-isoxazolecarboxylate Specification

The cas register number of Ethyl 5-isopropyl-3-isoxazolecarboxylate is 91240-30-1. It also can be called as 3-Isoxazolecarboxylicacid, 5-(1-methylethyl)-, ethyl ester and the Systematic name about this chemical is ethyl 5-(propan-2-yl)-1,2-oxazole-3-carboxylate. It belongs to the Heterocycle.

Physical properties about Ethyl 5-isopropyl-3-isoxazolecarboxylate are: (1)ACD/LogP: 1.93; (2)ACD/LogD (pH 5.5): 1.93; (3)ACD/LogD (pH 7.4): 1.93; (4)ACD/BCF (pH 5.5): 17.19; (5)ACD/BCF (pH 7.4): 17.19; (6)ACD/KOC (pH 5.5): 266.53; (7)ACD/KOC (pH 7.4): 266.53; (8)#H bond acceptors: 4 ; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.33Å²; (11)Index of Refraction: 1.467; (12)Molar Refractivity: 47.23 cm³; (13)Molar Volume: 169.9 cm³; (14)Polarizability: 18.72x10^-24cm³; (15)Surface Tension: 35.6 dyne/cm; (16)Enthalpy of Vaporization: 50.5 kJ/mol; (17)Vapour Pressure: 0.00837 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1cc(no1)C(=O)OCC
(2)InChI: InChI=1/C9H13NO3/c1-4-12-9(11)7-5-8(6(2)3)13-10-7/h5-6H,4H2,1-3H3
(3)InChIKey: PVQVIEIJKPRYEI-UHFFFAOYAX

Product Name

Ethyl 5-isopropyl-3-isoxazolecarboxylate

Ethyl 5-isopropyl-3-isoxazolecarboxylate Specification

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