2,4,5-TRIMETHYL-3-OXAZOLINE

Base Information

• Chemical Name: 2,4,5-TRIMETHYL-3-OXAZOLINE
• CAS No.: 22694-96-8
• Molecular Formula: C6H11NO
• Molecular Weight: 113.159
• Hs Code.: 2934999090
• European Community (EC) Number: 607-131-8,928-459-0
• UNII: KHQ1Z14L8P
• DSSTox Substance ID: DTXSID8047133
• Nikkaji Number: J77.253D
• Wikidata: Q27282250
• Metabolomics Workbench ID: 44745
• ChEMBL ID: CHEMBL3188899
• Mol file: 22694-96-8.mol

Synonyms:3-Oxazoline,2,4,5-trimethyl- (8CI);2,4,5-Trimethyl-D3-oxazoline;

Chemical Property of 2,4,5-TRIMETHYL-3-OXAZOLINE

Chemical Property:

• Appearance/Colour: Pale yellow liquid
• Vapor Pressure: 8.1mmHg at 25°C
• Boiling Point: 139.169 °C at 760 mmHg
• PKA: 6.27±0.60(Predicted)
• Flash Point: 35.872 °C
• PSA: 21.59000
• Density: 1.04 g/cm³
• LogP: 0.64760
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in alcohol, fixed oils. Insoluble in water.
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

2,4,5-TRIMETHYL-3-OXAZOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 11-36/37/38-10
• Safety Statements: 3/7-9-16-29-33-37/60-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=NC(O1)C)C
• Uses: 2,4,5-Trimethyl-3-oxazoline, cis + trans possesses the characteristic meat aroma hences used for flavoring application. Used as flavour enhancer in fish Food additive.

Technology Process of 2,4,5-TRIMETHYL-3-OXAZOLINE

There total 1 articles about 2,4,5-TRIMETHYL-3-OXAZOLINE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-hydroxy-2-butanon (513-86-0,52217-02-4,51555-24-9) → 2,4,5-trimethyloxazole (20662-84-4) + 2,4,5-trimethyl-2,5-dihydro-1,3-oxazole (22694-96-8) + Tetramethylpyrazine (1124-11-4) + 2-(1-hydroxyethyl)-2,4,5-trimethyl-3-oxazoline + (E)-5-Hydroxy-3,4-dimethyl-hex-3-en-2-one + 3-[2-Hydroxy-1-methyl-prop-(E)-ylideneamino]-butan-2-one

Guidance literature:

With ammonium acetate; In water; at 25 ℃; Rate constant; Thermodynamic data; Mechanism; E(a); other solvents, var. temp.;

DOI:10.1021/jf960734o

upstream raw materials:

3-hydroxy-2-butanon

Refernces