基本情報
- CAS
13925-07-0- 標準SMILES
CCc1ncc(C)nc1C- InChIKey
JZBCTZLGKSYRSF-UHFFFAOYSA-N- 分子式
- C8H12N2
- 平均分子量
- 136.19 g/mol
- 単同位体質量
- 136.10004839
概要
2-Ethyl-3,5-dimethylpyrazine is a member of pyrazines.
名称と識別子
- 優先名称
- 2-Ethyl-3,5-dimethylpyrazine
- IUPAC
- 2-ethyl-3,5-dimethylpyrazine
- 現地名
- 2-エチル-3,5-ジメチルピラジン
- 英語名
- 3,5-Dimethyl-2-ethylpyrazine
- 分子式
- C8H12N2
- 分子量
- 136.19
名称と別名
2-ETHYL-3,5-DIMETHYLPYRAZINE13925-07-0Pyrazine, 2-ethyl-3,5-dimethyl-3-Ethyl-2,6-dimethylpyrazine2,6-Dimethyl-3-ethylpyrazine2-Ethyl-3,5-dimethyl pyrazineR182EY5L8CDTXSID7065679FEMA NO. 3150RefChem:86882DTXCID5034515237-694-1
名称をさらに表示
3,5-ジメチル-2-エチルピラジン2-エチル-3,5-ジメチルピラジン3-エチル-2,6-ジメチルピラジンfema31503,5-dimethyl-2-ethyl-pyrazin2-ethyl-3,5-dimethyl-pyrazin2,6-dimethyl-3-ethyl-pyrazin
3,5-Dimethyl-2-ethylpyrazineFEMA 3150Pyrazine, 2,6-dimethyl-3-ethyl-BRN 0636984Pyrazine, 3-ethyl-2,6-dimethylPyrazine, 3,5-dimethyl-2-ethyl-MFCD00047392MFCD29918847
データベース識別子
- CAS
13925-07-0- PubChem CID
- 26334
- DTXSID
DTXSID7065679- ChEMBL
CHEMBL328856- ChEBI
CHEBI:193645- UNII
- R182EY5L8C
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 25.8 Ų
- 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
- 10
- 形式電荷
- 0
- 複雑度
- 103
実験および物理化学的性質
FragrancesFragrance Ingredient (3-Ethyl-2,6-dimethylpyrazine) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.950-0.980
0.952-0.961
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, oils, organic solvents
miscible at room temperature (in ethanol)
soluble in water, oils, organic solvents
miscible at room temperature (in ethanol)
Boiling Point
180.00 to 182.00 °C. @ 760.00 mm Hg
180 °C
180 °C
Refractive Index
1.496-1.506
1.496-1.502
Physical Description
colourless to slightly yellow liquid with a toasted nut, chocolaty, sweet woody odour
colourless to slightly yellow liquid
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
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1599) of reports.
Warning
H302 (> 99.9%): 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 1599 reports by companies from 4 notifications to the ECHA C&L Inventory.
Warning
危険有害性情報
Regulatory Information
Chemical: Pyrazine, 2-ethyl-3,5-dimethyl-
Regulation (EC) No 1831/2003 (amended)
Pyrazine, 2-ethyl-3,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (> 99.9%)
Acute toxicity (Oral) - Category 4
安全データ
- wgk
- WGK 3
- tsca
- TSCA listed
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 13 - Non Combustible Solids
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
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2-ethyl-3,5-dimethyl-: ACTIVE
応用分野
用途食品添加物
天然物の起源Reported found in the basic fractions of whiskey and rum, in roasted peanuts, in roasted barley, in coffee, filberts, potato and soy products, fried pork, cocoa, tea, oatmeal, asparagus, shrimps, clam, squid, grilled beef and wheaten bread
使用3,5-Dimethyl-2-ethylpyrazine is an odorant of coffee brews.
調製方法
製造方法By alkylation of 2,6-dimethylpyrazine with ethyllithium
上流・下流製品情報
上流原料
下流製品
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