2,4,5-Trimethyloxazole
ALDRICH/W439400 - 99%, FG
Synonym: Trimethyloxazole
CAS Number: 20662-84-4
Empirical Formula (Hill Notation): C6H9NO
Molecular Weight: 111.14
EC Number: 243-952-4
MDL Number: MFCD00005308
Linear Formula: C6H9NO
Product Type: Chemical
| application(s) | flavors and fragrances |
| assay | 99% |
| biological source | synthetic |
| bp | 133-134 °C/760 mmHg (lit.) |
| density | 0.957 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| InChI | 1S/C6H9NO/c1-4-5(2)8-6(3) |
| InChI key | ZRLDBDZSLLGDOX-UHFFFAOYSA |
| organoleptic | green; nutty; sweet |
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 872/2012 |
| SMILES string | Cc1nc(C)c(C)o1 |
| 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. |
| 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. |
| Other Notes: | Natural occurrence: Heated beef, cocoa, cooked pork, French fries, autolyzed yeast, cooked egg and fried chicken. |
| Packaging: | 1 kg in poly bottle |
| Packaging: | 50, 250 g in poly bottle |
| Symbol |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 |
| Risk Statements | 10 |
| Safety Statements | 16 |
| RIDADR | UN 1993C 3 / PGIII |
| WGK Germany | WGK 2 |
| Flash Point(F) | 91.4 °F - closed cup |
| Flash Point(C) | 33 °C - closed cup |
| Purity | 99% |
| bp | 133-134 °C/760 mmHg (lit.) |
| Density | 0.957 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 4394 |
| UNSPSC | 12164502 |