2,4,5-Trimethyl-3-oxazoline

HCID 31492CAS 22694-96-8

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Basic information

Standard SMILES: CC1=NC(C)OC1C
InChIKey: YFSGRMONVCFYTC-UHFFFAOYSA-N
Molecular formula: C6H11NO
Average molar mass: 113.16 g/mol
Monoisotopic mass: 113.08406397

Names & identifiers

Preferred name: 2,4,5-Trimethyl-3-oxazoline
IUPAC: 2,4,5-Trimethyl-2,5-dihydro-1,3-oxazole
English name: 2,4,5-Trimethyl-3-oxazoline
Molecular formula: C6H11NO
Molecular weight: 113.16

Names & synonyms

FEMA 3525peanut oxazoleUNII:KHQ1Z14L8P2,4,5-TRIMETHYLOXAZOLINETrimethyloxazolinecistrans2,4,5-trimethyl-3-oxazolin2,4,5-Trimethyl-3-oxazoline3-Oxazoline, 2,4,5-trimethyl-2,4,5-TRIMETHYL-3-OXAZOLINE,98%2,4,5-Trimethyl-gamma-3-oxazoline

Database identifiers

CAS: 22694-96-8
PubChem CID: 31492
DTXSID: DTXSID8047133
ChEMBL: CHEMBL3188899
ChEBI: CHEBI:173328
UNII: KHQ1Z14L8P
EC Number: 607-131-8、928-459-0
Nikkaji: J77.253D

Properties

Physicochemical properties

Boiling point: 45 · 45-47°C 12mm
Density: 0 · 0,919 g/cm3
FLAVIS Number: 13.039 · 13.039 | 2,4,5-Trimethyl-delta-3-oxazoline
RTECS: 5665000 · RQ5665000
FEMA: 3525 · 3525 | 2,4,5-TRIMETHYL-DELTA-3-OXAZOLINE
Flash point: 45 · 45-47°C/12mm
pka: 6.27 · 6.27±0.60(Predicted)
form: liquid
Odor: 0.1 % · at 0.10 % in dipropylene glycol. musty nutty vegetable cocoa nut skin bread crust phenolic woody
Odor Type: musty
Water Solubility: Soluble in alcohol, fixed oils. Insoluble in water.
Sensitive: Air Sensitive
JECFA Number: 1559 · 1559
InChI: 1S/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3
InChIKey: YFSGRMONVCFYTC-UHFFFAOYSA-N
SMILES: CC1OC(C)C(C)=N1
LogP: 1.72 · 1.72
CAS DataBase Reference: 22694 · 22694-96-8(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): 2 · 2,4,5-TRIMETHYL-DELTA-3-OXAZOLINE
FDA UNII: 1 Z14L8P · KHQ1Z14L8P
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 2 · GHS02,GHS07
Hazard statements: 226 · H226-H303-H315-H319-H335
Precautionary statements: 210 · P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 11 · 11-36/37/38-10
Safety Statements: 3 · 3/7-9-16-29-33-37/60-26
RIDADR: 1993 · 1993
WGK Germany: 3 · WGK 3
HazardClass: 3 · 3
PackingGroup: III
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 3 · Aquatic Chronic 3
Toxicity: 50 · mouse,LD50,oral,4840mg/kg (4840mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Safety & regulation

Safety data

wgk: WGK 3
ridadr: 1993
Toxicity: mouse,LD50,oral,4840mg/kg (4840mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
risk_code: 11-36/37/38-10
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 3/7-9-16-29-33-37/60-26
hazard_class: 3
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H226-H303-H315-H319-H335
Hazard Classifications: Aquatic Chronic 3
Precautionary statements: P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 3 items

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

Uses2,4,5-Trimethyl-3-oxazoline, cis + trans possesses the characteristic meat aroma hences used for flavoring application. Used as flavour enhancer in fish

UsesFood additive.

Upstream & downstream products

Upstream raw materials

Ammonium hydroxide

Suppliers48 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: 2,5-Dihydro-2,4,5-trimethyloxazole is an oxazole.

Related reactions

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