2-エチルピラジン
2-エチルピラジン · エチルピラジン · エチルピラジン, 2- · 2-ETHYLPYRAZINE · Pyrazine, ethyl- · FEMA 3281 · ethyl-pyrazin · ETHYLPYRAZINE
識別子と物理属性
| CAS No. | 1392-50-3 |
|---|---|
| 分子式 | C6H8N2 |
| 平均分子量 | 108.14 g/mol |
| 単同位体質量 | 108.06874826 g/mol |
| SMILES | CCc1cnccn1 |
| InChIKey | KVFIJIWMDBAGDP-UHFFFAOYSA-N |
| PubChem CID | 26331 |
| ChEMBL | CHEMBL97525 |
| ChEBI | CHEBI:73232 |
| EC No. | 237-691-5 |
| DTXSID | DTXSID2065676 |
| 現地名 | 2-エチルピラジン |
化学・物理的性質
| XLogP | 0.7 |
|---|---|
| 極性表面積 | 25.8 |
| 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 |
| 物質分類 | Nitrogen Compounds -> Pyrazines |
| 香料 | Fragrance Ingredient (2-Ethylpyrazine) -> IFRA transparency List |
| LogP（分配係数） | 0.690.79 |
| 食品添加物 | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 密度 | 0.981-1.0000.984 g/mL at 25 °C (lit.) |
| 香味料 | EU Flavoring substances |
| 溶解度 | soluble in water, organic solvents, oilsmiscible at room temperature (in ethanol)溶けやすい |
| 沸点 | 152.00 to 153.00 °C. @ 760.00 mm Hg152 °C152-153 °C (lit.) |
| 蒸気圧 | 1.67 [mmHg] |
| 屈折率 | 1.493-1.508n20/D 1.498(lit.) |
| Physical Description | Colorless liquid[Alfa Aesar MSDS]colourless to pale yellow liquid with a musty, nutty, peanut butter odour |
| 融点 | 155 °C |
| FEMA | 3281 | 2-ETHYLPYRAZINE |
| 引火点 | 109 °F |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | Liquid |
| pKa（酸解離定数） | 1.62±0.10(Predicted) |
| 色 | Colorless to Light yellow to Light orange |
| 比重 | 0.984 |
| 臭い | 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 |
| JECFA Number | 762 |
| BRN | 108200 |
| ヘンリー定数 | 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（分配係数） | 0.69 |
| CAS データベース | 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) |
化学的特性
2-Ethylpyrazine has a peanut butter, musty, nutty, woody, peanut buttery odor.
安全性と法規制
| GHS 分類 | WarningH226 (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. |
|---|---|
| 規制情報 | 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 |
| 有害性の概要 | Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (14.4%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | UQ3330000 |
| 輸送番号（UN） | UN 1993 3/PG 3 |
| 税関コード | 29339990 |
| 危険文句（R） | 10-41-37/38-22 |
| 消防法 | 危-4-2-III |
| 危険表示 | Xi,Xn |
| 安全措置（S） | 16-39-26 |
| 危険等級 | 3Acute Tox. 4 OralFlam. Liq. 3 |
| 包装等級 | III |
| 貯蔵分類 | 3 - Flammable liquids |
用途
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.
製法・合成法
製造方法
By alkylation of methylpyrazine with methyliodide.