2,3-Diethylpyrazine (HCID 27458)

概要

2,3-Diethylpyrazine is a member of pyrazines.

名称と識別子

優先名称: 2,3-Diethylpyrazine
IUPAC: 2,3-diethylpyrazine
現地名: 2,3-ジエチルピラジン
英語名: 2,3-Diethylpyrazine
分子式: C8H12N2
分子量: 136.19

名称と別名

2,3-DIETHYLPYRAZINEPyrazine, 2,3-diethyl-shoyu pyrazineFEMA No. 3136DTXSID6047101UNII-AD31A42VY0EINECS 239-800-1AD31A42VY0DTXCID40271012,3-Diethyl-pyrazineFEMA 31362,3-DIETHYLPYRAZINE [FHFI]

名称をさらに表示

2,3-ジエチルピラジン2,3-ジエチルピラジン, 98%FEMA NUMBER 31362,3-diethyl-pyrazinDIETHYLPYRAZINE,2,3-2.3-Diethyl pryazine2,3-Diethylpyrazine>

23-Diethyl-pyrazineRefChem:81632239-800-1GZXXANJCCWGCSV-UHFFFAOYSA-N15707-24-1Pyrazine, diethyl-MFCD000061512,3-Diethyl

データベース識別子

CAS: 15707-24-1
PubChem CID: 27458
DTXSID: DTXSID6047101
ChEMBL: CHEMBL327303
ChEBI: CHEBI:166525
UNII: AD31A42VY0
EC Number: 239-800-1
Nikkaji: J208.374D

物性

構造計算による物性

XLogP: 1.5
極性表面積: 25.8 Å²
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: 2
重原子数: 10
形式電荷: 0
複雑度: 81.3

実験および物理化学的性質

FragrancesFragrance Ingredient (2,3-Diethylpyrazine) -> IFRA transparency List

LogP · 2 件

1.51

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.956-0.976

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

soluble in water, soluble in oils, organic solvents

miscible at room temperature (in ethanol)

物理化学的性質

沸点: 180 · 180-182 °C (lit.)
比重(密度): 0.963 g/mL · 0.963 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.5(lit.)
FEMA: 3136 · 3136 | 2,3-DIETHYLPYRAZINE
闪点: 159 °F · 159 °F
貯蔵温度: Inert atmosphere,Room Temperature
酸解離定数(Pka): 2.16 · 2.16±0.10(Predicted)
色: Colorless to Light yellow
比重: 0.963 · 0.963
臭い (Odor): 0.1 %。生のナッツのようなピーマン · ジプロピレングリコール中0.10%。生のナッツのようなピーマン
においのタイプ: ナッティ
由来生物: synthetic
JECFA Number: 771 · 771
化粧品成分の機能: 香料
InChI: 1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
InChIKey: GZXXANJCCWGCSV-UHFFFAOYSA-N
SMILES: CCc1nccnc1CC
LogP: 1.7 · 1.70
CAS データベース: 15707 · 15707-24-1(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,3-Diethylpyrazine(15707-24-1)
EPAの化学物質情報: 2 · Pyrazine, 2,3-diethyl- (15707-24-1)

化学的性質

化学的特性2,3-Diethylpyrazine has a nutty, hazelnut aroma

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.2%): 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 5 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Pyrazine, 2,3-diethyl-

Regulation (EC) No 1831/2003 (amended)

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

Other Safety InformationIMAP assessments - Pyrazine, 2,3-diethyl-: Environment tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (97.2%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3334
hs_code: 29339900
risk_code: 37/38-41
化審法: (5)-950
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-39
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 3 件

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPyrazine, 2,3-diethyl-: ACTIVE

応用分野 · 4 件

用途有機合成原料。

天然物の起源Reported found in baked potato, mushrooms, cocoa, roasted filberts, malt and shoyu (fermented soya hydrolysate).

使用2,3-Diethylpyrazine is used in method for preparing coffee extracts for cigarette using aroma backfilling agents.

一般的な説明2,3-Diethylpyrazine is naturally present in tobacco and has been added to tobacco as flavor ingredients. Interaction of 2,3-diethylpyrazine (a volatile flavor compound) with propyl gallate has been investigated.

調製方法

製造方法By condensation of 3,4-hexanedione with ethylenediamine

上流・下流製品情報

上流原料

エチレンジアミン (無水)3,4-ヘキサンジオン

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]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

2,3-ジエチルピラジン

基本情報

概要