W439400

2,4,5-Trimethyloxazole

99%, FG

• Synonym(s): Trimethyloxazole
• Empirical Formula (Hill Notation): C₆H₉NO
• CAS Number: 20662-84-4
• Molecular Weight: 111.14
• FEMA Number: 4394
• EC Number: 243-952-4
• MDL number: MFCD00005308
• UNSPSC Code: 12164502
• PubChem Substance ID: 329830710
• Flavis number: 13.169
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG
• reg. compliance: EU Regulation 1334/2008 & 872/2012
• assay: 99%
• refractive index: n20/D 1.442 (lit.)
• bp: 133-134 °C/760 mmHg (lit.)
• density: 0.957 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: green; nutty; sweet
• SMILES string: Cc1nc(C)c(C)o1
• InChI: 1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
• InChI key: ZRLDBDZSLLGDOX-UHFFFAOYSA-N

Description

General description

2,4,5-Trimethyloxazole is an important heterocyclic flavor compound that generally occurs in coffee and cocoa. It is reported to be present in meat and roasted peanuts due to its formation by the reaction between 2,3-butanedione and alanine or cysteine due to Strecker′s degradation.

Application

Possible applications: Chocolate, Dutch cocoa, coffee, various savory meaty flavors, malt and toasted bread.

Biochem/physiol Actions

Odor at 1.0%: Slight pyridine-like, roasted vegetative, toasted Dutched cocoa background with a slight nutty nuance.
Taste at 1ppm: Sweet roasted cocoa, coffee, chocolate, slightly seared savory beef, proteinous with green vegetative nuances.

Other Notes

Natural occurrence: Heated beef, cocoa, cooked pork, French fries, autolyzed yeast, cooked egg and fried chicken.

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• Hazard Classifications: Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 91.4 °F - closed cup
• flash_point_c: 33 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter