CAS No.53833-30-0,FEMA 3672 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53833-30-0
Name:	FEMA 3672
Article Data:	3
Cas Database

Formula:	C₇H₁₁NO
Molecular Weight:	125.17
Synonyms:	2-Ethyl-4,5-dimethyloxazole;4,5-Dimethyl-2-ethyloxazole;
EINECS:	258-815-4
Density:	0.956 g/cm³
Boiling Point:	166.4 °C at 760 mmHg
Flash Point:	57.7 °C
Risk Codes:	36
Safety:	26
PSA:	26.03000
LogP:	1.85380

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Specification

The 2-Ethyl-4,5-dimethyloxazole, with the CAS registry number 53833-30-0, is also known as 4,5-Dimethyl-2-ethyloxazole. Its EINECS registry number is 258-815-4. This chemical's molecular formula is C₇H₁₁NO and molecular weight is 125.084064. Its IUPAC name is called 2-ethyl-4,5-dimethyl-1,3-oxazole.

Physical properties of 2-Ethyl-4,5-dimethyloxazole: (1)ACD/LogP: 1.62; (2)ACD/LogD (pH 5.5): 1.62; (3)ACD/LogD (pH 7.4): 1.62; (4)ACD/BCF (pH 5.5): 9.94; (5)ACD/BCF (pH 7.4): 10.07; (6)ACD/KOC (pH 5.5): 179.42; (7)ACD/KOC (pH 7.4): 181.76; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.46; (11)Molar Refractivity: 35.84 cm³; (12)Molar Volume: 130.8 cm³; (13)Surface Tension: 30.4 dyne/cm; (14)Density: 0.956 g/cm³; (15)Flash Point: 57.7 °C; (16)Enthalpy of Vaporization: 38.63 kJ/mol; (17)Boiling Point: 166.4 °C at 760 mmHg; (18)Vapour Pressure: 2.36 mmHg at 25°C.

Preparation: this chemical can be prepared by propionyl chloride and butan-2-one (E)-oxime. The reaction temperature is 80 - 135 °C. The yield is about 85%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=NC(=C(O1)C)C
(2)InChI: InChI=1S/C7H11NO/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3
(3)InChIKey: LCYOFVYHDBWYSI-UHFFFAOYSA-N