2-Ethylpyrazine (HCID 26331)

概要

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.

名称と識別子

優先名称: 2-Ethylpyrazine
IUPAC: 2-ethylpyrazine
現地名: 2-エチルピラジン
英語名: Ethylpyrazine
分子式: C6H8N2
分子量: 108.14

名称と別名

2-ETHYLPYRAZINEEthylpyrazine13925-00-32-Ethyl-1,4-diazinePyrazine, ethyl-2-ethyl pyrazineFEMA No. 3281Pyrazine, 2-ethyl-CCRIS 2931EINECS 237-691-50QO4LUV16ZBRN 0108200

名称をさらに表示

2-エチルピラジンエチルピラジンエチルピラジン, 2-ethyl-pyrazinFEMA NUMBER 3281ETHYLPYRAZINE, 2-Ethylpyrazine,98%2-Ethylpyrazine>Pyrazine, 2-ethyl-

FEMA 32812-ETHYLPYRAZINE [FHFI]DTXSID2065676CHEBI:732325-23-05-00402 (Beilstein Handbook Reference)Pyrazine, ethylPyrazine, 2ethyl2Ethyl1,4diazine

データベース識別子

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

物性

構造計算による物性

XLogP: 0.7
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: 8
形式電荷: 0
複雑度: 63.5

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyrazines

FragrancesFragrance Ingredient (2-Ethylpyrazine) -> IFRA transparency List

LogP · 2 件

0.69

0.79

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.981-1.000

Flavoring AgentsEU Flavoring substances

物理化学的性質

融点: 155 °C · 155 °C
沸点: 152 · 152-153 °C (lit.)
比重(密度): 0.984 g/mL · 0.984 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.498(lit.)
FEMA: 3281 · 3281 | 2-ETHYLPYRAZINE
闪点: 109 °F · 109 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 溶けやすい
外見: Liquid
酸解離定数(Pka): 1.62 · 1.62±0.10(Predicted)
色: Colorless to Light yellow to Light orange
比重: 0.984 · 0.984
臭い (Odor): 1 %。ピーナッツバターかび臭いナッツのような木のようなローストココア · ジプロピレングリコール中1.00%。ピーナッツバターかび臭いナッツのような木のようなローストココア
においのタイプ: ナッティ
由来生物: synthetic
水溶解度: 溶けやすい
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 データベース: 13925 · 13925-00-3(CAS DataBase Reference)
NISTの化学物質情報: Pyrazine, ethyl-(13925-00-3)
EPAの化学物質情報: Pyrazine, ethyl- (13925-00-3)

化学的性質

化学的特性2-Ethylpyrazine has a peanut butter, musty, nutty, woody, peanut buttery odor.

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (14.4%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: UQ3330000
ridadr: UN 1993 3/PG 3
hs_code: 29339990
risk_code: 10-41-37/38-22
消防法: 危-4-2-III
hazard_code: Xi,Xn
safety_code: 16-39-26
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

UsesUsed as a flavoring agent and flavor enhancer for foods; [FDA]

Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPyrazine, 2-ethyl-: ACTIVE

応用分野 · 4 件

用途有機合成原料。

天然物の起源Reported 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

使用Ethylpyrazine is a reagent used in the synthetic preparation of various pharmaceutical goods and has been screened for potential activities as H1-antihistamine.

一般的な説明2-Ethylpyrazine is a volatile aroma compound that is mainly formed in food products such as roasted coffee beans or roasted sesame seeds due to the Maillard reaction between sugars and proteins during the roasting process.

調製方法

製造方法By alkylation of methylpyrazine with methyliodide.

上流・下流製品情報

上流原料

グリオキサール

下流製品

2-アセチルピリジンピラジン

サプライヤー50 社

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Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

補足説明 · 1 件

定義ChEBI: 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.

2-エチルピラジン

基本情報

概要