基本情報
- CAS
3149-28-8- 標準SMILES
COc1cnccn1- InChIKey
WKSXRWSOSLGSTN-UHFFFAOYSA-N- 分子式
- C5H6N2O
- 平均分子量
- 110.11 g/mol
- 単同位体質量
- 110.04801281
概要
Methoxypyrazine is an aromatic ether and a member of pyrazines.
名称と識別子
- 優先名称
- 2-Methoxypyrazine
- IUPAC
- 2-methoxypyrazine
- 現地名
- 2-メトキシピラジン
- 英語名
- 2-Methoxypyrazine
- 分子式
- C5H6N2O
- 分子量
- 110.11
名称と別名
2-Methoxypyrazine3149-28-8METHOXYPYRAZINEPyrazine, methoxy-Pyrazine, 2-methoxy-2-Methoxy-1,4-diazineFEMA No. 3302EINECS 221-579-8RYD35T7F4TMONOMETHOXYPYRAZINEMETHOXYPYRAZINE [FHFI]2-METHOXYPYRAZINE [FCC]
名称をさらに表示
2-メトキシピラジンメトキシピラジンメトキシピラジン, 2-2-メトキシピラジン, 98%FEMA 3302methoxy-pyrazinFEMA NUMBER 3302Methoxypyrazine,98%METHOXYPYRAZINE, 2-2-Methoxypyrazine>
DTXSID4047676RefChem:474681DTXCID2027676221-579-82-Methoxy-pyrazineMFCD00006126UNII-RYD35T7F4TMethoxy-Pyrazine
データベース識別子
- CAS
3149-28-8- PubChem CID
- 18467
- DTXSID
DTXSID4047676- ChEMBL
CHEMBL97794- ChEBI
CHEBI:180127- UNII
- RYD35T7F4T
- EC Number
- 221-579-8
- Nikkaji
- J110.394F
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 35 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 67.4
実験および物理化学的性質
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (Methoxypyrazine) -> IFRA transparency List
LogP
0.73
0.73
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.109-1.140
Flavoring AgentsEU Flavoring substances
Solubility
miscible with water, organic solvents; soluble in oils
miscible at room temperature (in ethanol)
Boiling Point
60.00 to 61.00 °C. @ 29.00 mm Hg
61-62 °C (29 mm Hg)
Refractive Index1.492-1.510
Physical Descriptioncolourless to light yellow liquid with a nutty, cocoa-like odour
物理化学的性質
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1429 reports by companies from 10 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Pyrazine, methoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Methoxypyrazine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (98.8%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29339990
- risk_code
- 10-22-37/38-41
- 消防法
- 危-4-2-III
- hazard_code
- Xn
- safety_code
- 16-26-39
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 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
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2-methoxy-: ACTIVE
応用分野
用途有機合成原料。
説明Methoxypyrazine has an odor threshold of 700 ppb in water. Methoxypyrazine may be prepared from 2-hydroxypyrazine by various routes.
天然物の起源Present at ultra-trace levels in sauvignon blanc and cabernet sauvignon grapes and wine. Methoxypyrazine contributes a distinctive wine aroma, even at low parts per trillion levels. Also reported found in cooked beef, cocoa, malt and krill.
調製方法
製造方法From 2-hydroxypyrazine by various routes.
上流・下流製品情報
上流原料
関連反応
6 件
化合物ノート
読み込み中…