2-Methyl-5-vinylpyrazine

HCID 26335CAS 13925-08-1

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Grundinformationen

Standard-SMILES: C=Cc1cnc(C)cn1
InChIKey: JASFBLBUHWKFBZ-UHFFFAOYSA-N
Summenformel: C7H8N2
Durchschnittliche Molmasse: 120,15 g/mol
Monoisotopische Masse: 120,06874826

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-5-vinylpyrazine
IUPAC: 2-ethenyl-5-methylpyrazine
Englischer Name: 2-Methyl-5-vinylpyrazine, 99%
Summenformel: C7H8N2
Molmasse: 120.15

Namen und Synonyme

2-METHYL-5-VINYLPYRAZINE2-Ethenyl-5-methylpyrazinePyrazine, 2-ethenyl-5-methyl-2-methyl-5-vinyl-pyrazine2-Vinyl-5-methylpyrazinePyrazine, 2-methyl-5-vinyl-2-Methyl-5-ethenylpyrazine2-ethenyl-5-methyl pyrazinePyrazine, 2-vinyl,5-methylUNII-11651I34582-ethenyl-5-methyl-pyrazineDTXSID6065680

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2-METHYL-5-VINYLPYRAZINE (RE-GRAS)

FEMA NO. 32115-METHYL-2-VINYLPYRAZINE2-Ethenyl-5-methylpyrazine, 9CI11651I34582-METHYL-5-VINYLPYRAZINE [FHFI]RefChem:88196DTXCID0034516JASFBLBUHWKFBZ-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 13925-08-1
PubChem CID: 26335
DTXSID: DTXSID6065680
ChEBI: CHEBI:193693
UNII: 11651I3458
Nikkaji: J101.076J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 101

Experimentelle und physikochemische Eigenschaften

Density1.011-1.023

Solubility · 2 Einträge

Very slightly soluble in water; Soluble in acetone

Soluble (in ethanol)

Boiling Point · 2 Einträge

65.00 to 66.00 °C. @ 12.00 mm Hg

65-66 °C (12 mm Hg)

Refractive Index1.557-1.561

Physical DescriptionColourless to yellow liquid; Coffee-like aroma

Kovats Retention Index · 3 Einträge

993；1001；989；989；994；994；992；999；1001；994.6；1005

1034；1037；1041；1023；1031；1038；1032；1035；1012；1025；1025；1022

1495；1476；1488；1493；1468；1516；1538；1485；1516；1513；1489；1520；1529；1473.8；1474.8；1498；1500；1490；1513.5

Physikochemische Eigenschaften

Schmelzpunkt: 65 · 65-66 °C
Siedepunkt: 174.6 · 174.6±35.0 °C(Predicted)
Dichte: 1.017 · 1.017±0.06 g/cm3(Predicted)
FEMA: 3211 · 3211 | 2-METHYL-5-VINYLPYRAZINE (RE-GRAS)
storage temp.: 2 · 2-8°C
pka: 1.34 · 1.34±0.10(Predicted)
Geruch (Odor): coffee
Geruchsart: coffee
JECFA Number: 2127 · 2127
LogP: 1.04 · 1.04
EPA chemische Informationen: 2 · Pyrazine, 2-ethenyl-5-methyl- (13925-08-1)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory InformationChemical: Pyrazine, 2-ethenyl-5-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Regulatorische Informationen

Regulatory InformationChemical: Pyrazine, 2-ethenyl-5-methyl-

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm；Extracellular

Verwendung und Herstellung

Use Classification · 2 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationPyrazine, 2-ethenyl-5-methyl-: INACTIVE

Anwendungen

BeschreibungMay be prepared by methylation of the Mannich base obtained by reacting formaldehyde and dimethylamine with dimethyl- 2, 5-pyrazine, followed by the Hoffman degradation.

OccurrenceReported to be present in coffee, dairy products, peanuts, filberts, potato products, asparagus, fried chicken, cocoa, toasted oats, corn tortillas and mal

Darstellung

synthetischeBy methylation of the Mannich base obtained by reacting formaldehyde and dimethylamine with dimethyl-2,5-pyrazine, followed by the Hoffman degradation