5-メチルキノキサリン

5-Methylquinoxaline

HCID 61670CAS 13708-12-8
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1cccc2nccnc12
InChIKey
CQLOYHZZZCWHSG-UHFFFAOYSA-N
分子式
C9H8N2
平均分子量
144.17 g/mol
単同位体質量
144.06874826

概要

5-methylquinoxaline is a quinoxaline derivative in which the quinoxaline (1,4-naphthyridine) skeleton is substituted at C-5 with a methyl group.

名称と識別子

優先名称
5-Methylquinoxaline
IUPAC
5-methylquinoxaline
現地名
5-メチルキノキサリン
英語名
5-METHYLQUINOXALINE
分子式
C9H8N2
分子量
144.17

名称と別名

5-Methylquinoxaline13708-12-8Quinoxaline, 5-methyl-FEMA No. 32035-methyl quinoxalineDTXSID4047090EINECS 237-246-58-methylquinoxalineL0AD7T152GCHEBI:1327995-methyl-1,4-naphthyridine8-methyl-1,4-naphthyridine
名称をさらに表示
5-メチルキノキサリンFEMA 3203FEMA NUMBER 32035-METHYLQUINOXOLINE5-Methylquinoxaline>5-Methylquinoxaline,98%5-METHYLQUINOXALINE 99+%5 AND 6-METHYLQUINOXALINE
DTXCID20270905-METHYLQUINOXALINE [FHFI]RefChem:537341237-246-5MFCD000123355-Methyl-QuinoxalineUNII-L0AD7T152G5-Methyl-quinoxalin

データベース識別子

CAS
13708-12-8
PubChem CID
61670
DTXSID
DTXSID4047090
ChEMBL
CHEMBL3182614
ChEBI
CHEBI:132799
UNII
L0AD7T152G
EC Number
237-246-5
Nikkaji
J101.318A

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
0
重原子数
11

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (5-Methylquinoxaline) -> IFRA transparency List
LogP · 2 件

2.04

2.04

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.102-1.128
Flavoring AgentsEU Flavoring substances

物理化学的性質

融点
20 · 20-21 °C (lit.)
沸点
120 °C/15 · 120 °C/15 mmHg (lit.)
比重(密度)
1.125 g/mL · 1.125 g/mL at 25 °C
FEMA
3203 · 3203 | 5-METHYLQUINOXALINE
屈折率
20 · n20/D 1.62(lit.)
闪点
230 °F · >230 °F

化学的性質

化学的特性5-Methylquinoxaline has a burnt, roasted, nutty, roasted corn, coffee odor

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 75.8% (141 of 186) of all reports.

Warning

H315 (24.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 186 reports by companies from 7 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: Quinoxaline, 5-methyl-

Regulation (EC) No 1831/2003 (amended)

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

Hazard Classes and CategoriesSkin Irrit. 2 (24.2%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29339900
risk_code
36/37/38
消防法
危-4-3-III
hazard_code
Xi

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 InformationQuinoxaline, 5-methyl-: ACTIVE
応用分野 · 5 件

用途有機合成原料。

説明5-Methylquinoxaline has a burnt, roasted, nutty, roasted com, coffee odor.

天然物の起源Reported found in coffee and roasted almonds

使用5-Methylquinoxaline was used in the synthesis of 1,12-diphenyl-5-methyl-1,12,12a,12b-tetrahydrobis[1,2,4]triazolo[4,3-a:3′,4′-c]quinoxaline bis-cycloadducts.

一般的な説明5-Methylquinoxaline has been identified as one of the key volatile aroma compounds in roasted almonds{170] and roasted coffee.

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

補足説明

定義ChEBI: A quinoxaline derivative in which the quinoxaline (1,4-naphthyridine) skeleton is substituted at C-5 with a methyl group.

関連反応

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