2-メチル-5-ビニルピラジン

2-Methyl-5-vinylpyrazine

HCID 26335CAS 13925-08-1

部分構造検索類似構造を探す

基本情報

標準SMILES: C=Cc1cnc(C)cn1
InChIKey: JASFBLBUHWKFBZ-UHFFFAOYSA-N
分子式: C7H8N2
平均分子量: 120.15 g/mol
単同位体質量: 120.06874826

名称と識別子

優先名称: 2-Methyl-5-vinylpyrazine
IUPAC: 2-ethenyl-5-methylpyrazine
現地名: 2-メチル-5-ビニルピラジン
英語名: 2-Methyl-5-vinylpyrazine, 99%
分子式: C7H8N2
分子量: 120.15

名称と別名

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

名称をさらに表示

2-メチル-5-ビニルピラジン2-ビニル-5-メチルピラジン2-METHYL-5-VINYLPYRAZINE (RE-GRAS)

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1
極性表面積: 25.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 101

実験および物理化学的性質

Density1.011-1.023

Solubility · 2 件

Very slightly soluble in water; Soluble in acetone

Soluble (in ethanol)

Boiling Point · 2 件

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 件

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

物理化学的性質

融点: 65 · 65-66 °C
沸点: 174.6 · 174.6±35.0 °C(Predicted)
比重(密度): 1.017 · 1.017±0.06 g/cm3(Predicted)
FEMA: 3211 · 3211 | 2-METHYL-5-VINYLPYRAZINE (RE-GRAS)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 1.34 · 1.34±0.10(Predicted)
臭い (Odor): コーヒー
においのタイプ: コーヒー
JECFA Number: 2127 · 2127
LogP: 1.04 · 1.04
EPAの化学物質情報: 2 · Pyrazine, 2-ethenyl-5-methyl- (13925-08-1)

安全と法規制

危険有害性情報

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

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

法規制情報

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

安全データ

tsca: TSCA listed

化学と産業

薬理情報

Cellular LocationsCytoplasm；Extracellular

用途と製造

Use Classification · 2 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

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

応用分野

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

天然物の起源Reported to be present in coffee, dairy products, peanuts, filberts, potato products, asparagus, fried chicken, cocoa, toasted oats, corn tortillas and mal

調製方法

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