CAS 25704-73-8 2,3-Dimethylpyrazine (HCID 22201)

概要

2,3-Dimethylpyrazine is a member of pyrazines.

名称と識別子

優先名称: 2,3-Dimethylpyrazine
IUPAC: 2,3-dimethylpyrazine
現地名: 2,3-ジメチルピラジン
英語名: 2,3-Dimethylpyrazine
分子式: C6H8N2
分子量: 108.14

名称と別名

2,3-DIMETHYLPYRAZINE5910-89-4Pyrazine, 2,3-dimethyl-2,3-Dimethyl-1,4-diazineFEMA No. 3271WHF7883D0V2,3-DMP pyrazineDTXSID4064058RefChem:442557DTXCID3042552227-630-02,3-Dimethyl-pyrazine

名称をさらに表示

2,3-ジメチルピラジンFEMA 32712,3-Dimethylpyrazine >=99.0%FEMA NUMBER 3271DIMETHYLPYRAZINES2,3-dimethyl-pyrazin2,3-Dimethyloyrazine2.3-Dimethyl pryazine

DimethylpyrazineMFCD0000614425704-73-8Pyrazine, dimethyl-CCRIS 29282,3-Dimethylpyrazine (natural)2,3-dimethyl pyrazineEINECS 227-630-0

データベース識別子

CAS: 25704-73-8、5910-89-4
PubChem CID: 22201
DTXSID: DTXSID4064058
ChEMBL: CHEMBL96425
ChEBI: CHEBI:193606
UNII: WHF7883D0V
EC Number: 227-630-0
Nikkaji: J45.570I

物性

構造計算による物性

XLogP: 0.5
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: 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 (2,3-Dimethylpyrazine) -> IFRA transparency List

LogP0.54

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

Density0.997-1.030

物理化学的性質

融点: 11 · 11-13 °C
沸点: 156 °C · 156 °C (lit.)
比重(密度): 1.011 g/mL · 1.011 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.507(lit.)
FEMA: 3271 · 3271 | 2,3-DIMETHYLPYRAZINE
闪点: 130 °F · 130 °F
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: Chloroform (Sparingly), Methanol (Slightly)
酸解離定数(Pka): 2.21 · 2.21±0.10(Predicted)
外見: clear liquid
比重: 1.022 · 1.022
色: Colorless to Light orange to Yellow
PH: 7 · 7 (H2O, 20℃)
臭い (Odor): ナッツを思わせるロースト臭
においのタイプ: ナッティ
由来生物: synthetic
JECFA Number: 765 · 765
BRN: 107908 · 107908
主な用途: フレーバーそして香料
InChI: 1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3
InChIKey: OXQOBQJCDNLAPO-UHFFFAOYSA-N
SMILES: Cc1nccnc1C
LogP: 0.64 · 0.64
CAS データベース: 5910 · 5910-89-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · Pyrazine, 2,3-dimethyl-(5910-89-4)
EPAの化学物質情報: 2 · Pyrazine, 2,3-dimethyl- (5910-89-4)

化学的性質

化学的特性2,3-Dimethylpyrazine has a nutty, cocoa-like odor and green note.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): 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 1668 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Pyrazine, 2,3-dimethyl-

Regulation (EC) No 1831/2003 (amended)

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

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: UQ2625000
ridadr: UN 1993 3/PG 3
hs_code: 29339990
risk_code: 10-22-37/38-41
化審法: (5)-950
消防法: 危-4-2-III
hazard_code: Xn,F,Xi
hazard_note: Irritant/Flammable
safety_code: 16-26-39
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

UsesUsed as a flavoring agent; [FDA]

Use Classification · 4 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, 2,3-dimethyl-: ACTIVE

応用分野

用途香料・香辛料

一般的な説明The bacterium strain DP-45, identified as Rhodococcus erythropolis, was grown on 2,3-dimethylpyrazine.

上流・下流製品情報

上流原料

エチレンジアミン (無水)カリウムヒドロキシドジアセチル 2,3-Pyrazinedicarboxylic acid, 5,6-dimethyl-2,5-ジエチルピラジン 2,3-Dimethyl-5-Vinylpyrazine 2-メチル-5-ビニルピラジン 2-メチル-5-エチルピラジン Pyrazine, 3-ethenyl-2,5-dimethyl-2-エチル-6-メチルピラジン 2-エチル-3,6-ジメチルピラジン

下流製品

3-メチルピラジン-2-カルボン酸 2-メチルピラジンピラジン (Z)-3-メチルピラジン-2-カルブアルデヒドオキシム 3-メチル-2-ピラジンカルブアルデヒド

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化合物ノート

読み込み中…

2,3-ジメチルピラジン

基本情報

概要