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2,3-ジメチルピラジン
2,3-ジメチルピラジン · Pyrazine, 2,3-dimethyl- · FEMA 3271 · 2,3-Dimethylpyrazine >=99.0% · FEMA NUMBER 3271 · DIMETHYLPYRAZINES · 2,3-dimethyl-pyrazin · 2,3-DIMETHYLPYRAZINE
識別子と物理属性
| CAS No. | 25704-73-8 |
|---|---|
| 分子式 | C6H8N2 |
| 平均分子量 | 108.14 g/mol |
| 単同位体質量 | 108.06874826 g/mol |
| SMILES | Cc1nccnc1C |
| InChIKey | OXQOBQJCDNLAPO-UHFFFAOYSA-N |
| PubChem CID | 22201 |
| ChEMBL | CHEMBL96425 |
| ChEBI | CHEBI:193606 |
| EC No. | 227-630-0 |
| DTXSID | DTXSID4064058 |
| 現地名 | 2,3-ジメチルピラジン |
化学・物理的性質
| XLogP | 0.5 |
|---|---|
| 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 | 0 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 62.9 |
| 物質分類 | Nitrogen Compounds -> Pyrazines |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| 香料 | Fragrance Ingredient (2,3-Dimethylpyrazine) -> IFRA transparency List |
| LogP（分配係数） | 0.54 |
| 食品添加物 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 密度 | 0.997-1.0301.011 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)Chloroform (Sparingly), Methanol (Slightly) |
| 沸点 | 155.00 to 157.00 °C. @ 760.00 mm Hg156 °C156 °C (lit.) |
| 蒸気圧 | 1.5 [mmHg] |
| 屈折率 | 1.501-1.510n20/D 1.507(lit.) |
| Physical Description | Colorless liquid with a pleasant odor[Alfa Aesar MSDS]colourless to light yellow liquid with a nutty, cocoa-like odour |
| 融点 | 11-13 °C |
| FEMA | 3271 | 2,3-DIMETHYLPYRAZINE |
| 引火点 | 130 °F |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| pKa（酸解離定数） | 2.21±0.10(Predicted) |
| 外観・状態 | clear liquid |
| 比重 | 1.022 |
| 色 | Colorless to Light orange to Yellow |
| pH | 7 (H2O, 20℃) |
| 臭い | ナッツを思わせるロースト臭 |
| においのタイプ | ナッティ |
| 由来生物 | synthetic |
| JECFA Number | 765 |
| BRN | 107908 |
| 主な用途 | フレーバーそして香料 |
| InChI | 1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3 |
| InChIKey | OXQOBQJCDNLAPO-UHFFFAOYSA-N |
| SMILES | Cc1nccnc1C |
| LogP（分配係数） | 0.64 |
| CAS データベース | 5910-89-4(CAS DataBase Reference) |
| NISTの化学物質情報 | Pyrazine, 2,3-dimethyl-(5910-89-4) |
| EPAの化学物質情報 | Pyrazine, 2,3-dimethyl- (5910-89-4) |
化学的特性
2,3-Dimethylpyrazine has a nutty, cocoa-like odor and green note.
安全性と法規制
| GHS 分類 | WarningH226 (100%): 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 1668 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, 2,3-dimethyl-Regulation (EC) No 1831/2003 (amended)2,3-Dimethylpyrazine: 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 irritantHarmful by ingestion[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | UQ2625000 |
| 輸送番号（UN） | UN 1993 3/PG 3 |
| 税関コード | 29339990 |
| 危険文句（R） | 10-22-37/38-41 |
| 化審法 | (5)-950 |
| 消防法 | 危-4-2-III |
| 危険表示 | Xn,F,Xi |
| hazard_note | Irritant/Flammable |
| 安全措置（S） | 16-26-39 |
| 危険等級 | 3Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 3 - Flammable liquids |
用途
用途
香料・香辛料
一般的な説明
The bacterium strain DP-45, identified as Rhodococcus erythropolis, was grown on 2,3-dimethylpyrazine.