Grundinformationen
- Standard-SMILES
CCc1cnccn1- InChIKey
KVFIJIWMDBAGDP-UHFFFAOYSA-N- Summenformel
- C6H8N2
- Durchschnittliche Molmasse
- 108,14 g/mol
- Monoisotopische Masse
- 108,06874826
Überblick
Ethylpyrazine is a member of the class of pyrazines that is pyrazine in which one of the hydrogens is replaced by an ethyl group. Found particularly in cereals and cereal products, it is present in baked or fried potato, bread, roasted peanuts, and cooked shrimp, as well as cocoa, coffee, and tea. It has a musty, nutty, buttery, peanut odor and a chocolate-peanut taste. It has a role as a flavouring agent, a fragrance and a Maillard reaction product.
Namen und Bezeichner
- Bevorzugter Name
- 2-Ethylpyrazine
- IUPAC
- 2-ethylpyrazine
- Lokaler Name
- Ethylpyrazin
- Englischer Name
- Ethylpyrazine
- Summenformel
- C6H8N2
- Molmasse
- 108.14
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1392-50-3、13925-00-3- PubChem CID
- 26331
- DTXSID
DTXSID2065676- ChEMBL
CHEMBL97525- ChEBI
CHEBI:73232- UNII
- 0QO4LUV16Z
- EC Number
- 237-691-5
- Nikkaji
- J27.869F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 25,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 63,5
Experimentelle und physikochemische Eigenschaften
LogP
0.69
0.79
Solubility
soluble in water, organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
152.00 to 153.00 °C. @ 760.00 mm Hg
152 °C
Physical Description
Colorless liquid; [Alfa Aesar MSDS]
colourless to pale yellow liquid with a musty, nutty, peanut butter odour
Physikochemische Eigenschaften
- Schmelzpunkt
- 155 °C · 155 °C
- Siedepunkt
- 152 · 152-153 °C (lit.)
- Dichte
- 0.984 g/mL · 0.984 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.498(lit.)
- FEMA
- 3281 · 3281 | 2-ETHYLPYRAZINE
- Flammpunkt
- 109 °F · 109 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- freely soluble
- Aggregatzustand
- Liquid
- pka
- 1.62 · 1.62±0.10(Predicted)
- Farbe
- Colorless to Light yellow to Light orange
- Wichte
- 0.984 · 0.984
- Geruch (Odor)
- 1 % · at 1.00 % in dipropylene glycol. peanut butter musty nutty woody roasted cocoa
- Geruchsart
- nutty
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- freely soluble
- JECFA Number
- 762 · 762
- BRN
- 108200 · 108200
- Henry's Law Constant
- 4 · 4.0×100 mol/(m3Pa) at 25℃, Buttery et al. (1971)
- InChI
- 1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3
- InChIKey
- KVFIJIWMDBAGDP-UHFFFAOYSA-N
- SMILES
- CCc1cnccn1
- LogP
- 0.69 · 0.69
- CAS Datenbank
- 13925 · 13925-00-3(CAS DataBase Reference)
- NIST chemische Informationen
- Pyrazine, ethyl-(13925-00-3)
- EPA chemische Informationen
- Pyrazine, ethyl- (13925-00-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (14.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1503 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Pyrazine, ethyl-
Regulation (EC) No 1831/2003 (amended)
2-Ethylpyrazine: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29339990
- RTECS-Nr.
- UQ3330000
- risk_code
- 10-41-37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 16-39-26
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 3
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Anwendungen
OccurrenceReported found in bakery products, cocoa products, coffee, meat, peanuts, filberts, potato products, beer, whiskey, tea, soybeans, rice, roasted coconut, corn tortillas, shrimp, crayfish, asparagus, boiled beef, malt whiskey, and malt
VerwendenEthylpyrazine is a reagent used in the synthetic preparation of various pharmaceutical goods and has been screened for potential activities as H1-antihistamine.
Darstellung
synthetischeBy alkylation of methylpyrazine with methyliodide.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: A member of the class of pyrazines that is pyrazine in which one of the hydrogens is replaced by an ethyl group. Found particularly in cereals and cereal products, it is present in baked or fried potato, bread, roasted peanuts, and cooked shrimp, as well a cocoa, coffee, and tea. It has a musty, nutty, buttery, peanut odor and a chocolate-peanut taste.
Zugehörige Reaktionen
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Verknüpfte Notizen
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