2,6-Dimethylpyrazine (HCID 7938)

概要

2,6-Dimethylpyrazine is a member of pyrazines.

名称と識別子

優先名称: 2,6-Dimethylpyrazine
IUPAC: 2,6-dimethylpyrazine
現地名: 2,6-ジメチルピラジン
英語名: 2,6-Dimethylpyrazine
分子式: C6H8N2
分子量: 108.14

名称と別名

2,6-DIMETHYLPYRAZINE108-50-9Pyrazine, 2,6-dimethyl-3,5-DimethylpyrazineFEMA No. 3273N77Q72C9I3DTXSID5047619RefChem:445751DTXCID3027619203-589-42,6-Dimethylpiazine2,6-Dimethylparadiazine

名称をさらに表示

2,6-ジメチルピラジン3,5-ジメチルピラジンFEMA 3273FEMA NUMBER 32736-DiMethylpyrazine2,6-dimethyl-pyrazin2,6-SIMETHYLPYRAZINE2.6-Dimethyl pryazine

2,6-Dimethyl-1,4-diazineMFCD000061482,6DMPCCRIS 29302,6-Dimethylpyrazine (natural)EINECS 203-589-4UNII-N77Q72C9I32,6 dimethylpyrazine

データベース識別子

CAS: 108-50-9
PubChem CID: 7938
DTXSID: DTXSID5047619
ChEBI: CHEBI:89791
UNII: N77Q72C9I3
EC Number: 203-589-4
Nikkaji: J1.498B

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: 64.9

実験および物理化学的性質

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

FragrancesFragrance Ingredient (2,6-Dimethylpyrazine) -> IFRA transparency List

LogP · 2 件

0.54

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

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

soluble in water, organic solvents

very soluble (in ethanol)

物理化学的性質

融点: 35 · 35-40 °C(lit.)
沸点: 154 °C · 154 °C(lit.)
比重(密度): 0.965 · 0.965(50.0000℃)
FEMA: 3273 · 3273 | 2,6-DIMETHYLPYRAZINE
屈折率: 1.5 · 1.5000
闪点: 127 °F · 127 °F
貯蔵温度: -20 °C · -20°C
溶解性: クロロホルム、メタノール（微量）
酸解離定数(Pka): 2.49 · 2.49±0.10(Predicted)
外見: 低融点結晶性固体
色: ペールイエロー
PH: 7 · 7 (H2O, 20℃)
臭い (Odor): 10 %。空気のようなココア · ジプロピレングリコール中10.00%。空気のようなココアナッツのようなローストローストした肉のような牛肉のような茶色のコーヒーバターミルク
においのタイプ: チョコレート
由来生物: synthetic
水溶解度: 水に溶ける。
JECFA Number: 767 · 767
BRN: 1726 · 1726
Henry's Law Constant: 9.8 · 9.8×10-1 mol/(m3Pa) at 25℃, Chaintreau et al. (1995)
Dielectric constant: 2.65 · 2.6499999999999999
主な用途: フレーバーそして香料
化粧品成分の機能: 香料
InChI: 1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3
InChIKey: HJFZAYHYIWGLNL-UHFFFAOYSA-N
SMILES: Cc1cncc(C)n1
LogP: 0.64 · 0.64
CAS データベース: 108 · 108-50-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · Pyrazine, 2,6-dimethyl-(108-50-9)
EPAの化学物質情報: 2 · Pyrazine, 2,6-dimethyl- (108-50-9)

化学的性質

化学的特性2,6-Dimethylpyrazine has a nutty, coffee-like odor.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (94.7%): 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 1686 reports by companies from 15 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, 2,6-dimethyl-

Regulation (EC) No 1831/2003 (amended)

2,6-Dimethylpyrazine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (94.7%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: UQ2975000
ridadr: UN 1325 4.1/PG 2
hs_code: 29339990
risk_code: 10-22-37/38-41-11
化審法: (5)-950
消防法: 危-4-2-III
hazard_code: Xn,F
safety_code: 16-26-39
hazard_class: 4.1
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Sol. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 4.1B - Flammable solid hazardous materials

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

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, 2,6-dimethyl-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

天然物の起源Reported found in cocoa products, coffee, diary products, peanuts, pecans, filberts, potato products, rum, whiskey, soy products, tomato puree, baked potato, cooked beef and chicken, mushroom, roasted barley, roasted pecan, tea, and Virginia tobacco; reported found in grilled beef; also a volatile flavor component of potato chips. Also reported found in cheeses, tamarind, coriander seed and corn tortilla

使用2,6-Dimethylpyrazine is used Preparation of chocolate, coffee, meat and nuts and other flavors