基本情報
- CAS
13360-64-0- 標準SMILES
CCc1cnc(C)cn1- InChIKey
OXCKCFJIKRGXMM-UHFFFAOYSA-N- 分子式
- C7H10N2
- 平均分子量
- 122.17 g/mol
- 単同位体質量
- 122.08439833
概要
2-ethyl-5-methylpyrazine is a member of the class of pyrazines that is pyrazine with an ethyl group at position 2 and a methyl group at position 5 or vice versa. Found in tea, soybean paste, chocolate and sesame seed oil. It has a role as a flavouring agent and a Maillard reaction product. It is a volatile organic compound and a member of pyrazines.
名称と識別子
- 優先名称
- 2-Ethyl-5-methylpyrazine
- IUPAC
- 2-ethyl-5-methylpyrazine
- 現地名
- 2-メチル-5-エチルピラジン
- 英語名
- 2-Ethyl-5-methylpyrazine
- 分子式
- C7H10N2
- 分子量
- 122.17
名称と別名
2-ETHYL-5-METHYLPYRAZINE13360-64-0Pyrazine, 2-ethyl-5-methyl-2-Methyl-5-ethylpyrazineFEMA No. 31542-Ethyl-5-methyl pyrazine2,5-MethylethylpyrazineBRN 0956719W41R8X574D2-Ethyl-5-methyl-pyrazineEINECS 236-416-6AI3-34443
名称をさらに表示
2-エチル-5-メチルピラジン2-メチル-5-エチルピラジン2-Methyl-5-ethyl pyraine2-ethyl-5-Methyl pyraine2-Methyl-5-ethylpirazine5-ETHYL-2-METHYLPYRAZINED5-2-Ethyl-5-methylpyrazine4-diphenylphosphinooxyphenol2-Ethyl-5-methylpyrazine USP/EP/BP
FEMA 3154ETHYL-5-METHYLPYRAZINE, 2-DTXSID60654225-METHYL-2-ETHYLPYRAZINECHEBI:1415422-ETHYL-5-METHYLPYRAZINE [FHFI]RefChem:471855DTXCID9034157
データベース識別子
- CAS
13360-64-0、36731-41-6- PubChem CID
- 25915
- DTXSID
DTXSID6065422
物性
構造計算による物性
- XLogP
- 1
- 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
- 9
- 形式電荷
- 0
- 複雑度
- 83
実験および物理化学的性質
FragrancesFragrance Ingredient (2-Ethyl-5-methylpyrazine) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.960-0.970
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, organic solvents
miscible at room temperature (in ethanol)
Boiling Point79 °C (66 mm Hg)
Refractive Index1.491-1.501
Physical Descriptioncolourless to slightly yellow liquid with a nutty, roasted, grassy odour
物理化学的性質
- 沸点
- 170.8 · 170.8±35.0 °C(Predicted)
- 比重(密度)
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- FEMA
- 3154 · 3154 | 2-ETHYL-5-METHYLPYRAZINE
- 闪点
- 58 ° · 58°
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
H226 (97.5%): 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 1592 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Pyrazine, 2-ethyl-5-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 2-ethyl-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (97.5%)
安全データ
- tsca
- TSCA listed
- ridadr
- UN1993
- hazard_class
- 3
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2-ethyl-5-methyl-: ACTIVE
応用分野
用途香料・香辛料
天然物の起源Reported found as a constituent in coffee aroma, in roasted barley, dairy products, peanuts, pecans, filberts, popcorn, potato and soy products, smoked fish, wheat and rye bread, asparagus, bell pepper, roasted coconut, cooked beef, beer, whiskey, cocoa, coffee, tea and cooked shrimp.
調製方法
製造方法By alkylation of dimethyl-2,5-pyrazine.
上流・下流製品情報
下流製品
サプライヤー100 社
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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