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20662-84-4

Basic Information
CAS No.: 20662-84-4
Name: 2,4,5-TRIMETHYLOXAZOLE
Article Data: 24
Molecular Structure:
Molecular Structure of 20662-84-4 (2,4,5-TRIMETHYLOXAZOLE)
Formula: C6H9NO
Molecular Weight: 111.144
Synonyms: Oxazole,trimethyl- (8CI,9CI);2,4,5-Trimethyloxazole;Trimethyloxazole;
EINECS: 243-952-4
Density: 0.973 g/cm3
Boiling Point: 133.499 °C at 760 mmHg
Flash Point: 33.333 °C
Solubility: Insoluble in water
Appearance: Clear yellow liquid
Hazard Symbols: FlammableF
Risk Codes: 10
Safety: 16-33-29-3/7/9
Transport Information: UN 1993
PSA: 26.03000
LogP: 1.59980
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  • 2,4,5-Trimethyloxazole

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    2,4,5-Trimethyloxazole

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    2,4,5-Trimethyloxazole

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  • 2,4,5-TriMethyloxazole

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    2,4,5-TriMethyloxazole

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Specification

The 2,4,5-Trimethyloxazole with the CAS number 20662-84-4 is also called Oxazole,2,4,5-trimethyl-. Both the systematic name and IUPAC name are 2,4,5-trimethyl-1,3-oxazole. Its molecular formula is C6H9NO. The EINECS registry number is 243-952-4. This chemical belongs to the following product categories: (1)Oxazole & Isoxazole; (2)Flavor. It is clear yellow liquid. This chemical is flammable. While using this chemical, you should keep it away from sources of ignition.

The properties of the 2,4,5-Trimethyloxazole are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.93; (6)ACD/BCF (pH 7.4): 3.97; (7)ACD/KOC (pH 5.5): 92.52; (8)ACD/KOC (pH 7.4): 93.42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.03Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 31.11 cm3; (15)Molar Volume: 114.2 cm3; (16)Polarizability: 12.33×10-24cm3; (17)Surface Tension: 30.3 dyne/cm; (18)Enthalpy of Vaporization: 35.57 kJ/mol; (19)Vapour Pressure: 10.4 mmHg at 25°C.

Preparation: This chemical can be prepared by 2-[Bis(trimethylsilyl)amino]-3-(ethanoyloxy)-2-butene. This reaction needs reagent trimethylsilyl trifluoromethanesulfonate and solvent CHCl3 at temperature of 25 °C. The yield is 95%.

Uses: This chemical can react with propionyl chloride to prepare 2-Ethyl-4-methyl-5-phenyloxazole. This reaction's temperature is 80 - 135 °C. The yield is 84%.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c(oc1C)C)C
(2)InChI: InChI=1/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
(3)InChIKey: ZRLDBDZSLLGDOX-UHFFFAOYAO