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20662-84-4

20662-84-4 Structure

20662-84-4 Structure
IdentificationMore
[Name]

2,4,5-TRIMETHYLOXAZOLE
[CAS]

20662-84-4
[Synonyms]

2,4,5-TRIMETHYLOXAZOLE
TRIMETHYLOXAZOLE
2,4,5-Trimethyl-1,3-oxazole
Oxazole, 2,4,5-trimethyl
trimethyl-oxazol
2,4,5-Thrimethyloxazole
Oxazole, trimethyl-
2,3,4-TRIMETHYLOXAZOLE
2,3,5-TRIMETHYLOXAZOLE
[EINECS(EC#)]

243-952-4
[Molecular Formula]

C6H9NO
[MDL Number]

MFCD00005308
[Molecular Weight]

111.14
[MOL File]

20662-84-4.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW LIQUID
[Boiling point ]

133-134 °C(lit.)
[density ]

0.957 g/mL at 25 °C(lit.)
[FEMA ]

4394 | TRIMETHYLOXAZOLE
[refractive index ]

n20/D 1.442(lit.)
[Fp ]

92 °F
[storage temp. ]

Flammables area
[form ]

Liquid
[pka]

3.73±0.10(Predicted)
[color ]

Clear yellow
[Odor]

at 100.00 %. nutty nut skin roasted wasabi shellfish mustard vegetable
[biological source]

synthetic
[Odor Type]

nutty
[JECFA Number]

1553
[BRN ]

107043
[InChI]

1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
[InChIKey]

ZRLDBDZSLLGDOX-UHFFFAOYSA-N
[SMILES]

Cc1nc(C)c(C)o1
[LogP]

1.09
[CAS DataBase Reference]

20662-84-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

F
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S33:Take precautionary measures against static discharges .
S29:Do not empty into drains .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

2
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29349990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOW LIQUID
[Chemical Properties]

Yellowish liquid; boiled beef aroma.
[Occurrence]

Reported found in heated beef, cocoa, coffee and cooked pork.
[Uses]

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

ChEBI: Trimethyloxazole is an oxazole.
[Aroma threshold values]

Medium strength odor, nutty type; recommend smelling in a 10.00% solution or less.
[General Description]

2,4,5-Trimethyloxazole undergoes regio- and diastereoselective photocycloaddition reaction with aliphatic and aromatic aldehydes to yield erythro α-amino, β-hydroxy methyl ketones.
[Biological Activity]

Odor at 1.0%: Slight pyridine-likeroasted vegetativetoasted Dutched cocoa background with a slight nutty nuance.
Taste at 1ppm: Sweet roasted cocoacoffeechocolateslightly seared savory beefproteinous with green vegetative nuances.
Spectrum DetailBack Directory
[Spectrum Detail]

2,4,5-TRIMETHYLOXAZOLE(20662-84-4)MS
2,4,5-TRIMETHYLOXAZOLE(20662-84-4)1HNMR
2,4,5-TRIMETHYLOXAZOLE(20662-84-4)13CNMR
2,4,5-TRIMETHYLOXAZOLE(20662-84-4)IR1
2,4,5-TRIMETHYLOXAZOLE(20662-84-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,4,5-Trimethyloxazole, 95%(20662-84-4)
[Alfa Aesar]

2,4,5-Trimethyloxazole, 97%(20662-84-4)
[Sigma Aldrich]

20662-84-4(sigmaaldrich)
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