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W439400

Sigma-Aldrich

2,4,5-Trimethyloxazole

99%, FG

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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

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

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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.

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Formation of oxazolines and oxazoles in Strecker degradation of DL-alanine and L-cysteine with 2, 3-butanedione.
Ho CT & Hartman GJ.
Journal of Agricultural and Food Chemistry, 30(4), 793-794 (1982)
Oxazoles and oxazolines in foods.
Maga JA.
Journal of Agricultural and Food Chemistry, 26(5), 1049-1050 (1978)
Gerard Mosciano
Perfumer & Flavorist, 34 (1), 58-59 (2009)

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