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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 31492Generated: October 23, 2026

2,4,5-Trimethyl-3-oxazoline

FEMA 3525 · peanut oxazole · UNII:KHQ1Z14L8P · 2,4,5-TRIMETHYLOXAZOLINE · Trimethyloxazolinecistrans · 2,4,5-trimethyl-3-oxazolin · 2,4,5-Trimethyl-3-oxazoline · 3-Oxazoline, 2,4,5-trimethyl-

https://huagongshe.com/en/chemical/31492

2,4,5-Trimethyl-3-oxazoline molecular structure

Identifiers & Physical Properties

CAS No.22694-96-8
Molecular formulaC6H11NO
Average molar mass113.16 g/mol
Monoisotopic mass113.08406397 g/mol
SMILESCC1=NC(C)OC1C
InChIKeyYFSGRMONVCFYTC-UHFFFAOYSA-N
PubChem CID31492
ChEMBLCHEMBL3188899
ChEBICHEBI:173328
EC No.607-131-8
DTXSIDDTXSID8047133

Chemical & Physical Properties

XLogP0.5
Topological polar surface area21.6
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds0
Heavy atoms8
Formal charge0
Complexity120
Food additivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.913-0.9200,919 g/cm3
Flavoring agentsEU Flavoring substances
SolubilityslightlySoluble in water, propylene glycolinsoluble in most fixed oilsSoluble (in ethanol)Soluble in alcohol, fixed oils. Insoluble in water.
Boiling point125.00 to 127.00 °C. @ 760.00 mm Hg96-97 °C45-47°C 12mm
Refractive index1.413-1.421
Physical DescriptionYellow orange liquidPowerful, musty, slight green, wood, nut aroma
FLAVIS Number13.039 | 2,4,5-Trimethyl-delta-3-oxazoline
RTECS numberRQ5665000
FEMA3525 | 2,4,5-TRIMETHYL-DELTA-3-OXAZOLINE
Flash point45-47°C/12mm
pKa (acidity coefficient)6.27±0.60(Predicted)
Physical stateliquid
Odorat 0.10 % in dipropylene glycol. musty nutty vegetable cocoa nut skin bread crust phenolic woody
Odor typemusty
SensitivityAir Sensitive
JECFA Number1559
InChI1S/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3
InChIKeyYFSGRMONVCFYTC-UHFFFAOYSA-N
SMILESCC1OC(C)C(C)=N1
LogP (partition coefficient)1.72
CAS DataBase Reference22694-96-8(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS)2,4,5-TRIMETHYL-DELTA-3-OXAZOLINE
FDA UNIIKHQ1Z14L8P
UNSPSC Code12352200
GHS pictogramGHS02,GHS07
GHS hazard statementsH226-H303-H315-H319-H335
GHS precautionary statementsP210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard symbolsXi
Risk statements (R)11-36/37/38-10
Safety statements (S)3/7-9-16-29-33-37/60-26
UN transport number1993
Water hazard class (WGK)WGK 3
Hazard class3Aquatic Chronic 3
Packing groupIII
Storage class10 - Combustible liquids
Toxicitymouse,LD50,oral,4840mg/kg (4840mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Safety & Regulations

GHS classificationWarningH315 (97.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1445 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory informationChemical: Oxazole, 2,5-dihydro-2,4,5-trimethyl-Oxazole, 2,5-dihydro-2,4,5-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (97.3%)
Water hazard class (WGK)WGK 3
UN transport number1993
Toxicitymouse,LD50,oral,4840mg/kg (4840mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
Risk statements (R)11-36/37/38-10
GHS pictogramGHS02,GHS07
Hazard symbolsXi
Safety statements (S)3/7-9-16-29-33-37/60-26
Hazard class3Aquatic Chronic 3
Storage class10 - Combustible liquids
Packing groupIII
GHS hazard statementsH226-H303-H315-H319-H335
GHS precautionary statementsP210-P261-P303+P361+P353-P305+P351+P338-P405-P501a

Applications & Uses

Occurrence

Reported found in boiled, cooked and heated beef, canned beef stew, fried chicken and roasted peanut.

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

Uses

Food additive.