CAS No.1772-43-6,2,4,4-TRIMETHYL-2-OXAZOLINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1772-43-6
Name:	2,4,4-TRIMETHYL-2-OXAZOLINE
Article Data:	14

Formula:	C₆H₁₁NO
Molecular Weight:	113.159
Synonyms:	2,4,4-Trimethyl-2-oxazoline;4,5-Dihydro-2,4,4-trimethyloxazole;NSC 107049;2-Oxazoline,2,4,4-trimethyl- (6CI,7CI,8CI);2,4,4-Trimethyl-1,3-oxazoline;
EINECS:	217-201-6
Density:	0.99 g/cm³
Melting Point:	113-114℃
Boiling Point:	117.1 °C at 760 mmHg
Flash Point:	12.8 °C
Appearance:	clear colourless liquid
Hazard Symbols:	F
Risk Codes:	11
Safety:	16-29-33
Transport Information:	UN 1993 3/PG 2
PSA:	21.59000
LogP:	0.64920

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Specification

The Oxazole,4,5-dihydro-2,4,4-trimethyl-, also known as 2,4,4-Trimethyl-2-oxazoline, is an organic compound with the formula C₆H₁₁NO. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Oxazolines/Oxazolidines. Its EINECS registry number is 217-201-6. With the CAS registry number 1772-43-6, its IUPAC name is 2,4,4-trimethyl-5H-1,3-oxazole. The substance should be sealed and stored in cool and dry place. What's more, it should be protected from oxides.

Physical properties of Oxazole,4,5-dihydro-2,4,4-trimethyl-: (1)ACD/LogP: 0.18; (2)ACD/LogD (pH 5.5): -0.36; (3)ACD/LogD (pH 7.4): 0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.66; (7)ACD/KOC (pH 7.4): 28.75; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.473; (10)Molar Refractivity: 32.06 cm³; (11)Molar Volume: 114.1 cm³; (12)Surface Tension: 27.9 dyne/cm; (13)Density: 0.99 g/cm³; (14)Flash Point: 12.8 °C; (15)Enthalpy of Vaporization: 34.07 kJ/mol; (16)Boiling Point: 117.1 °C at 760 mmHg; (17)Vapour Pressure: 21.1 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-amino-2-methyl-propan-1-ol and acetic acid by heating.

Oxazole,4,5-dihydro-2,4,4-trimethyl- can be prepared by 2-amino-2-methyl-propan-1-ol and acetic acid by heating

Uses of Oxazole,4,5-dihydro-2,4,4-trimethyl-: it can be used to produce 1-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-pent-1-en-2-ol at temperature of 50 °C. This reaction will need reagents triethylamine, aluminium chloride and solvent acetonitrile with reaction time of 3 hours. The yield is about 55%.

Oxazole,4,5-dihydro-2,4,4-trimethyl- can be used to produce 1-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-pent-1-en-2-ol

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air and only need brief contact with an ignition source which has a very low flash point or evolve highly flammable gases in contact with water. You should keep it away from sources of ignition - No smoking. When using it, you can take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC(CO1)(C)C
(2)InChI: InChI=1S/C6H11NO/c1-5-7-6(2,3)4-8-5/h4H2,1-3H3
(3)InChIKey: HZRZMHNRCSIQFT-UHFFFAOYSA-N