2-イソブチル-3-メチルピラジン

2-Isobutyl-3-methyl pyrazine

HCID 26333
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基本情報

CAS
13925-06-9
標準SMILES
Cc1nccnc1CC(C)C
InChIKey
ZHMIODDNZRIENW-UHFFFAOYSA-N
分子式
C9H14N2
平均分子量
150.22 g/mol
単同位体質量
150.11569845

概要

2-Methyl-3-(2-methylpropyl)pyrazine is a member of pyrazines.

名称と識別子

優先名称
2-Isobutyl-3-methyl pyrazine
IUPAC
2-methyl-3-(2-methylpropyl)pyrazine
現地名
2-イソブチル-3-メチルピラジン
英語名
2-ISOBUTYL-3-METHYLPYRAZINE
分子式
C9H14N2
分子量
150.22

名称と別名

2-ISOBUTYL-3-METHYLPYRAZINE13925-06-92-Methyl-3-(2-methylpropyl)pyrazine2-isobutyl-3-methyl pyrazine2-Methyl-3-isobutylpyrazinePyrazine, 2-methyl-3-(2-methylpropyl)-FEMA No. 3133Pyrazine, 2-isobutyl-3-methyl-11EP4V0M9ZDTXSID2065678EINECS 237-693-62-ISOBUTYL-3-METHYL PYRAZINE [FHFI]
名称をさらに表示
2-イソブチル-3-メチルピラジン3-イソブチル-2-メチルピラジン2-メチル-3-(2-メチルプロピル)ピラジン2-メチル-3-イソブチルピラジンFEMA 3133Pyrazine, 2-mFEMA NUMBER 31332-Isobuthyl-3-methyl pyrazine2-Isobutyl-3-methylpyrazine>2-Isobutyl-3-isopropyl pyrazine2-ISOBUTYL-3-METHYLPYRAZINE 98+%2-ISOBUTYL-3-METHYLPYRAZINE 99+%
ZHMIODDNZRIENW-UHFFFAOYSA-PYRAZINE, 2-METHYL-3-(2-METHYLPROPYL)RefChem:473807DTXCID00345142-(2-Methylpropyl)-3-methylpyrazine237-693-6InChI=1/C9H14N2/c1-7(2)6-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H32-Isobutyl-3-methyl-pyrazine

データベース識別子

CAS
13925-06-9
PubChem CID
26333
DTXSID
DTXSID2065678
ChEMBL
CHEMBL95102
ChEBI
CHEBI:193682
UNII
11EP4V0M9Z
EC Number
237-693-6
Nikkaji
J149.483J

物性

構造計算による物性

XLogP
2
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
2
重原子数
11

実験および物理化学的性質

FragrancesFragrance Ingredient (2-Isobutyl-3-methylpyrazine) -> IFRA transparency List
LogP · 2 件

1.96

1.96

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.936-0.942
Flavoring AgentsEU Flavoring substances
Solubility · 2 件

soluble in water, oils, organic solvents

miscible at room temperature (in ethanol)

物理化学的性質

融点
74 °C · 74 °C
沸点
199 °C · 199 °C(lit.)
比重(密度)
0.942 g/mL · 0.942 g/mL at 25 °C(lit.)
FEMA
3133 · 3133 | 2-ISOBUTYL-3-METHYLPYRAZINE
屈折率
20 · n20/D 1.492(lit.)
闪点
180 °F · 180 °F

化学的性質

化学的特性2-Isobutyl-3-methylpyrazine has extremely powerful herbaceous green earthy notes. Diluted water solutions exhibit a characteristic odor of green bell peppers

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 97.8% (90 of 92) of all reports.

Not Classified

Aggregated GHS information provided per 92 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Pyrazine, 2-methyl-3-(2-methylpropyl)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

Hazard Classes and CategoriesNot Classified

安全データ

wgk
3
tsca
TSCA listed
hs_code
29349990
消防法
危-4-3-III
safety_code
24/25

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-methyl-3-(2-methylpropyl)-: ACTIVE

応用分野

説明Synthesis: By condensation of ethylenediamine with 5-methyl- 2,3-hexanedione.

天然物の起源Reported present in coffee, potato products, cooked beef, fried cured pork and roasted peanuts.

調製方法

製造方法By condensation of ethylenediamine with 5-methyl-2,3-hexandione

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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