CAS 13925-08-1 2-Methyl-5-vinylpyrazine (HCID 26335)

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Basic information

CAS: 13925-08-1
Standard SMILES: C=Cc1cnc(C)cn1
InChIKey: JASFBLBUHWKFBZ-UHFFFAOYSA-N
Molecular formula: C7H8N2
Average molar mass: 120.15 g/mol
Monoisotopic mass: 120.06874826

Names & identifiers

Preferred name: 2-Methyl-5-vinylpyrazine
IUPAC: 2-ethenyl-5-methylpyrazine
English name: 2-Methyl-5-vinylpyrazine, 99%
Molecular formula: C7H8N2
Molecular weight: 120.15

Names & synonyms

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

Show more names

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

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Experimental & physicochemical properties

Density1.011-1.023

Solubility · 2 items

Very slightly soluble in water; Soluble in acetone

Soluble (in ethanol)

Boiling Point · 2 items

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 items

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

Physicochemical properties

Melting point: 65 · 65-66 °C
Boiling point: 174.6 · 174.6±35.0 °C(Predicted)
Density: 1.017 · 1.017±0.06 g/cm3(Predicted)

Safety & regulation

Hazard information

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

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

Regulatory information

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

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm；Extracellular

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

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

Applications

DescriptionMay 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

Preparation methods

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