2-エチル-3-メチルピラジン

2-Ethyl-3-Methylpyrazine

HCID 27457CAS 15707-23-0
部分構造検索類似構造を探す

基本情報

標準SMILES
CCc1nccnc1C
InChIKey
LNIMMWYNSBZESE-UHFFFAOYSA-N
分子式
C7H10N2
平均分子量
122.17 g/mol
単同位体質量
122.08439832

概要

2-Ethyl-3-methylpyrazine, 9CI is a member of pyrazines.

名称と識別子

優先名称
2-Ethyl-3-Methylpyrazine
IUPAC
2-ethyl-3-methylpyrazine
現地名
2-エチル-3-メチルピラジン
英語名
2-Ethyl-3-methylpyrazine
分子式
C7H10N2
分子量
122.17

名称と別名

2-ETHYL-3-METHYLPYRAZINEPyrazine, 2-ethyl-3-methyl-2-Methyl-3-ethylpyrazineFEMA No. 31552-Ethyl-3-methylpyrazine, 9CIDTXSID4047464BRN 0956775EINECS 239-799-8UNII-9GF35MK66U9GF35MK66UFEMA 31552-Methyl-3-ethyl pyrazine
名称をさらに表示
2-エチル-3-メチルピラジン2-メチル-3-エチルピラジン3-エチル-2-メチルピラジン2-エチル-3-メチルピラジン, 98+%3-METHYL-2-ETHYLPYRAZINE3-ETHYL-2-METHYLPYRAZINEFEMA NUMBER 3155filbert pyrazineEthyl-3-Methylpyraz2-Ethyl-3-Methylpyra
5-23-05-00418 (Beilstein Handbook Reference)DTXCID20274642-ETHYL-3-METHYLPYRAZINE [FCC]2-ETHYL-3-METHYL-1,4-PYRAZINE2-ETHYL-3-METHYLPYRAZINE [FHFI]RefChem:86891239-799-8LNIMMWYNSBZESE-UHFFFAOYSA-N

データベース識別子

CAS
15707-23-0
PubChem CID
27457
DTXSID
DTXSID4047464
ChEMBL
CHEMBL3187840
ChEBI
CHEBI:193620
UNII
9GF35MK66U
EC Number
239-799-8
Nikkaji
J45.582B

物性

構造計算による物性

XLogP
1.1
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

実験および物理化学的性質

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (2-Ethyl-3-methylpyrazine) -> IFRA transparency List
LogP · 2 件

1.07

1.07

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.972-0.993
Flavoring AgentsEU Flavoring substances

物理化学的性質

沸点
57 °C10 · 57 °C10 mm Hg(lit.)
比重(密度)
0.987 g/mL · 0.987 g/mL at 25 °C
蒸気圧
1.74 hPa · 1.74hPa at 20℃
FEMA
3155 · 3155 | 2-ETHYL-3-METHYLPYRAZINE
屈折率
20 · n20/D 1.503(lit.)
闪点
138 °F · 138 °F

化学的性質

化学的特性2-Ethyl-3-methylpyrazine has a strong, raw-potato, roasted, earthy odor.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (96.6%): 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 1687 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Pyrazine, 2-ethyl-3-methyl-

Regulation (EC) No 1831/2003 (amended)

REACH registered substance: 2-ethyl-3-methylpyrazine (EC: 239-799-8)

Pyrazine, 2-ethyl-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Pyrazine, 2-ethyl-3-methyl-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (96.6%)

安全データ

wgk
3
tsca
TSCA listed
rtecs
UQ3335000
ridadr
UN 1993 3/PG 3
hs_code
29339900
risk_code
22-36/37/38

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 4 件

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-3-methyl-: ACTIVE
応用分野 · 3 件

用途有機合成原料。

天然物の起源Reported found in bakery products, roasted barley, coffee, peanuts, filberts, potato products, soy products, roasted and fried chicken, beef, pork, beer, rum, cocoa, coffee, tea, malt, shrimp and crayfish.

使用2-Ethyl-3-methylpyrazine is used in preparation of Chinese chestnut pyrolyzate and their application to e-cigarette.

調製方法

製造方法By condensation of ethylenediamine with 2,3-pentanedione.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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