2,5-Dimethylpyrazine (HCID 31252)

概要

2,5-Dimethylpyrazine is a member of pyrazines.

名称と識別子

優先名称: 2,5-Dimethylpyrazine
IUPAC: 2,5-dimethylpyrazine
現地名: 2,5-ジメチルピラジン
英語名: 2,5-Dimethyl pyrazine
分子式: C6H8N2
分子量: 108.14

名称と別名

2,5-DIMETHYLPYRAZINE123-32-0Pyrazine, 2,5-dimethyl-2,5-Dimethyl-1,4-diazineKetineFEMA No. 3272V99Y0MUY1QNSC-49139DTXSID6047652RefChem:82971DTXCID4027652204-618-3

名称をさらに表示

2,5-ジメチルピラジン2,5-ジメチルピラジン (2,6-異性体含む)グリコリンケチン2,5‐ジメチルピラジン2,5-ジメチルピラジン, 99%Pyrazine,2,5-dimethyl-2,5-Dimethylprazin2,5-DimethylStructural formula2,5-dimethyl-pyrazintomfor

2,5-Dimethyl pyrazineNSC 491392,5-Dimethylpiazine2,5-DimethylparadiazineMFCD000061472,5-Dimethyl-pyrazinePYRAZINE,2,5-DIMETHYLFEMA 3272

データベース識別子

CAS: 123-32-0
PubChem CID: 31252
DTXSID: DTXSID6047652
ChEMBL: CHEMBL94709
ChEBI: CHEBI:89762
UNII: V99Y0MUY1Q
EC Number: 204-618-3
Nikkaji: J2.009E

物性

構造計算による物性

XLogP: 0.6
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: 0
重原子数: 8
形式電荷: 0
複雑度: 62.9

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyrazines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

FragrancesFragrance Ingredient (2,5-Dimethylpyrazine) -> IFRA transparency List

LogP0.63

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

Density0.982-1.000

物理化学的性質

融点: 15 °C · 15°C
沸点: 155 °C · 155 °C (lit.)
比重(密度): 0.99 g/mL · 0.99 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.502(lit.)
FEMA: 3272 · 3272 | 2,5-DIMETHYLPYRAZINE
闪点: 147 °F · 147 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム（微量）、DMSO（微量）、メタノール（微量）
酸解離定数(Pka): 2.21 · 2.21±0.10(Predicted)
外見: 液体
比重: 0.99 · 0.990
色: 無色透明～淡黄色
PH: 7 · 7 (H2O)
臭い (Odor): 0.1 %。ナッツたっぷりのローストベイクドポテト · ジプロピレングリコール中0.10%。ナッツたっぷりのローストベイクドポテト
においのタイプ: チョコレート
由来生物: synthetic
JECFA Number: 766 · 766
BRN: 107052 · 107052
Henry's Law Constant: 7.1 · 7.1×100 mol/(m3Pa) at 25℃, Marin et al. (1999)
Dielectric constant: 2.44 · 2.4399999999999999
化粧品成分の機能: 香料
InChI: 1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
InChIKey: LCZUOKDVTBMCMX-UHFFFAOYSA-N
SMILES: Cc1cnc(C)cn1
LogP: 0.64 · 0.64
CAS データベース: 123 · 123-32-0(CAS DataBase Reference)
NISTの化学物質情報: 2 · Pyrazine, 2,5-dimethyl-(123-32-0)
EPAの化学物質情報: 2 · Pyrazine, 2,5-dimethyl- (123-32-0)

化学的性質

化学的特性clear colorless to pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (100%): 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 1762 reports by companies from 9 notifications to the ECHA C&L Inventory.

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

危険有害性情報

Regulatory Information · 3 件

Chemical: Pyrazine, 2,5-dimethyl-

Regulation (EC) No 1831/2003 (amended)

2,5-Dimethylpyrazine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses convulsions in acute intraperitoneal studies of mice; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

Flammable liquids - Category 3

安全データ

wgk: 3
tsca: TSCA listed
rtecs: UQ2800000
ridadr: NA 1993 / PGIII
hs_code: 29339990
risk_code: 22-36/37/38-R22
化審法: (5)-950
消防法: 危-4-2-III
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 Oral
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

UsesUsed as flavoring agent or adjuvant; [FDA]

Use Classification · 5 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPyrazine, 2,5-dimethyl-: ACTIVE

応用分野 · 4 件

用途インスタントコーヒー,ポテトチップス等のばい焼香気を付与する食品香料.(有機化合物辞典 (1985))

天然物の起源Reported to be present in bakery products, roasted barley, cocoa products, roasted coffee, dairy products, pork, peanuts, pecans, filberts, popcorn, potato products, rum and whiskey, soy products; a volatile component in roasted filberts and in potato chips; reportedly identified in the fat of cooked beef; also reported found in toasted off-flavors. Also reported in cheeses, butter, boiled eggs, grilled beef, tea, barley, oats, oatmeal, soybeans, heated beans, kohlrabi, shrimp and mushrooms. Also reported found in coffee, potato chips and shrimp

使用2,5-Dimethyl pyrazine is used for blending food, nuts and beverage flavors.

一般的な説明2,5-Dimethylpyrazine is a pyrazine compound that is mainly formed in food products such as cooked rice or roasted peanuts due to the Maillard reaction between sugars and proteins during cooking or roasting process.

調製方法

製造方法By the interaction of acrolein and ammonia when heated in glycerol in the presence of ammonium salts; by self-condensation of aminoacetone, followed by oxidation with mercury chloride.

純化方法Purify it via its picrate (m 150o) which is decomposed with a base (e,g, KOH) and distilled. [Wiggins and Wise J Chem Soc 4780 1956]. [Beilstein 23/5 V 403.]

上流・下流製品情報

上流原料

アクロレイン (モノマー)2-プロピル-3,6-ジメチルピラジン 2-メチル-5-(1-メチルプロピル)ピラジン azidoacetone 2,4-オクタジエン 2-プロピル-5-メチルピラジン (E)-1,3-オクタジエン 2-ヒドロキシプロパン-2-アミン 2-オキソプロパナールオキシム 2-イソブチル-3-メチルピラジン 1-アミノアセトン塩酸塩 DL-2-アミノ-1-プロパノール

下流製品

trans-2,5-ジメチルピペラジン 2,6-ジメチルピラジン 2,4-ジメチルピリミジン 2,5-ピラジンジカルボン酸 pyrazine-2,5-dicarbaldehyde

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2,5-ジメチルピラジン

基本情報

概要