2-ETHYL-4,4-DIMETHYL-2-OXAZOLINE

The Oxazole,2-ethyl-4,5-dihydro-4,4-dimethyl-, with the CAS registry number 5146-88-3, is also known as 2-Ethyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole. Its EINECS registry number is 225-919-6. This chemical's molecular formula is C₇H₁₃NO and molecular weight is 127.18. What's more, its IUPAC name is called 2-Ethyl-4,4-dimethyl-5H-1,3-oxazole. It should be stored in a cool, dry and well-ventilated place. When you are dealing with this chemical, you should be very careful. This chemical is flammable. Therefore, you should keep away from sources of ignition.

Physical properties about Oxazole,2-ethyl-4,5-dihydro-4,4-dimethyl- are: (1)ACD/LogP: 1.484; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 2.77; (6)ACD/BCF (pH 7.4): 7.72; (7)ACD/KOC (pH 5.5): 53.61; (8)ACD/KOC (pH 7.4): 149.23; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.59 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 36.673 cm³; (15)Molar Volume: 130.396 cm³; (16)Polarizability: 14.538×10^-24cm³; (17)Surface Tension: 28.419 dyne/cm; (18)Density: 0.975 g/cm³; (19)Flash Point: 35.895 °C; (20)Enthalpy of Vaporization: 36.415 kJ/mol; (21)Boiling Point: 142.678 °C at 760 mmHg; (22)Vapour Pressure: 6.932 mmHg at 25 °C.

Uses of Oxazole,2-ethyl-4,5-dihydro-4,4-dimethyl-: it is used to produce other chemicals. For example, it can react with thiocarbonyl dichloride to get propionic acid 2-isothiocyanato-2-methyl-propyl ester. This reaction needs reagent CaCO₃ and solvent CH₂Cl₂ at ambient temperature. The reaction time is 4 hours. The yield is 69 %.

You can still convert the following datas into molecular structure:
(1) SMILES: N\1=C(\OCC/1(C)C)CC
(2) InChI: InChI=1S/C7H13NO/c1-4-6-8-7(2,3)5-9-6/h4-5H2,1-3H3
(3) InChIKey: FGURMUFTHTVTAL-UHFFFAOYSA-N