Grundinformationen
- CAS
3149-28-8- Standard-SMILES
COc1cnccn1- InChIKey
WKSXRWSOSLGSTN-UHFFFAOYSA-N- Summenformel
- C5H6N2O
- Durchschnittliche Molmasse
- 110,11 g/mol
- Monoisotopische Masse
- 110,04801281
Überblick
Methoxypyrazine is an aromatic ether and a member of pyrazines.
Namen und Bezeichner
- Bevorzugter Name
- 2-Methoxypyrazine
- IUPAC
- 2-methoxypyrazine
- Lokaler Name
- Methoxypyrazin
- Englischer Name
- 2-Methoxypyrazine
- Summenformel
- C5H6N2O
- Molmasse
- 110.11
Namen und Synonyme
2-Methoxypyrazine3149-28-8METHOXYPYRAZINEPyrazine, methoxy-Pyrazine, 2-methoxy-2-Methoxy-1,4-diazineFEMA No. 3302EINECS 221-579-8RYD35T7F4TMONOMETHOXYPYRAZINEMETHOXYPYRAZINE [FHFI]2-METHOXYPYRAZINE [FCC]
Weitere Namen anzeigen
FEMA 3302methoxy-pyrazinFEMA NUMBER 3302Methoxypyrazine,98%METHOXYPYRAZINE, 2-2-Methoxypyrazine>
DTXSID4047676RefChem:474681DTXCID2027676221-579-82-Methoxy-pyrazineMFCD00006126UNII-RYD35T7F4TMethoxy-Pyrazine
Datenbank-Bezeichner
- CAS
3149-28-8- PubChem CID
- 18467
- DTXSID
DTXSID4047676- ChEMBL
CHEMBL97794- ChEBI
CHEBI:180127- UNII
- RYD35T7F4T
- EC Number
- 221-579-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 35 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 67,4
Experimentelle und physikochemische Eigenschaften
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (Methoxypyrazine) -> IFRA transparency List
LogP
0.73
0.73
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.109-1.140
Flavoring AgentsEU Flavoring substances
Solubility
miscible with water, organic solvents; soluble in oils
miscible at room temperature (in ethanol)
Boiling Point
60.00 to 61.00 °C. @ 29.00 mm Hg
61-62 °C (29 mm Hg)
Refractive Index1.492-1.510
Physical Description
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1429 reports by companies from 10 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Pyrazine, methoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Methoxypyrazine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (98.8%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29339990
- risk_code
- 10-22-37/38-41
- hazard_code
- Xn
- safety_code
- 16-26-39
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2-methoxy-: ACTIVE
Anwendungen
BeschreibungMethoxypyrazine has an odor threshold of 700 ppb in water. Methoxypyrazine may be prepared from 2-hydroxypyrazine by various routes.
OccurrencePresent at ultra-trace levels in sauvignon blanc and cabernet sauvignon grapes and wine. Methoxypyrazine contributes a distinctive wine aroma, even at low parts per trillion levels. Also reported found in cooked beef, cocoa, malt and krill.
Darstellung
synthetischeFrom 2-hydroxypyrazine by various routes.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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