2,4,5-Trimethyl-3-oxazoline

HCID 31492CAS 22694-96-8

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Grundinformationen

Standard-SMILES: CC1=NC(C)OC1C
InChIKey: YFSGRMONVCFYTC-UHFFFAOYSA-N
Summenformel: C6H11NO
Durchschnittliche Molmasse: 113,16 g/mol
Monoisotopische Masse: 113,08406397

Überblick

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

Namen und Bezeichner

Bevorzugter Name: 2,4,5-Trimethyl-3-oxazoline
IUPAC: 2,4,5-trimethyl-2,5-dihydro-1,3-oxazole
Englischer Name: 2,4,5-Trimethyl-3-oxazoline
Summenformel: C6H11NO
Molmasse: 113.16

Namen und Synonyme

2,4,5-TRIMETHYL-3-OXAZOLINE22694-96-82,5-Dihydro-2,4,5-trimethyloxazoleFEMA No. 35253-Oxazoline, 2,4,5-trimethyl-Oxazole, 2,5-dihydro-2,4,5-trimethyl-peanut oxazoleDTXSID8047133BRN 1098973UNII-KHQ1Z14L8P2,4,5-trimethyl-delta-3-oxazolineKHQ1Z14L8P

Weitere Namen anzeigen

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

Oxazole, 2,5-dihydro-2,4,5-trimethl-DTXCID60271332,4,5-TRIMETHYL DELTA-3-OXAZOLINE2,4,5-TRIMETHYL-.DELTA.-3-OXAZOLINE2,4,5-TRIMETHYL DELTA-3-OXAZOLINE [FCC]2,4,5-TRIMETHYL-.DELTA.-3-OXAZOLINE [FHFI]RefChem:82044(+-)-2,4,5-TRIMETHYL-3-OXAZOLINE

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 21,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 120

Experimentelle und physikochemische Eigenschaften

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.913-0.920

Flavoring AgentsEU Flavoring substances

Solubility · 3 Einträge

slightly

Soluble in water, propylene glycol; insoluble in most fixed oils

Soluble (in ethanol)

Boiling Point · 2 Einträge

125.00 to 127.00 °C. @ 760.00 mm Hg

96-97 °C

Refractive Index1.413-1.421

Physikochemische Eigenschaften

Siedepunkt: 45 · 45-47°C 12mm
Dichte: 0 · 0,919 g/cm3
FEMA: 3525 · 3525 | 2,4,5-TRIMETHYL-DELTA-3-OXAZOLINE
Flammpunkt: 45 · 45-47°C/12mm
pka: 6.27 · 6.27±0.60(Predicted)
Aggregatzustand: liquid
Geruch (Odor): 0.1 % · at 0.10 % in dipropylene glycol. musty nutty vegetable cocoa nut skin bread crust phenolic woody
Geruchsart: musty
Wasserlöslichkeit: Soluble in alcohol, fixed oils. Insoluble in water.
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 Datenbank: 22694 · 22694-96-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 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%)

Sicherheitsdaten

wgk: WGK 3
ridadr: 1993
risk_code: 11-36/37/38-10
Toxizität: mouse,LD50,oral,4840mg/kg (4840mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
hazard_code: Xi
safety_code: 3/7-9-16-29-33-37/60-26
hazard_class: 3
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Aquatic Chronic 3

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 2 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Anwendungen

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

Verwenden2,4,5-Trimethyl-3-oxazoline, cis + trans possesses the characteristic meat aroma hences used for flavoring application. Used as flavour enhancer in fish

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Ammoniak, wssrige Lsung

Anbieter48 Anbieter

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]

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