5-アセチル-2,4-ジメチルチアゾール

2,4-Dimethyl-5-acetylthiazole

HCID 520888CAS 38205-60-6
部分構造検索類似構造を探す

基本情報

標準SMILES
CC(=O)c1sc(C)nc1C
InChIKey
BLQOKWQUTLNKON-UHFFFAOYSA-N
分子式
C7H9NOS
平均分子量
155.22 g/mol
単同位体質量
155.04048491

概要

5-Acetyl-2,4-dimethylthiazole is a member of thiazoles.

名称と識別子

優先名称
2,4-Dimethyl-5-acetylthiazole
IUPAC
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
現地名
5-アセチル-2,4-ジメチルチアゾール
英語名
5-Acetyl-2,4-dimethylthiazole
分子式
C7H9NOS
分子量
155.22

名称と別名

5-Acetyl-2,4-dimethylthiazole38205-60-62,4-dimethyl-5-acetylthiazole1-(2,4-Dimethylthiazol-5-yl)ethanoneEthanone, 1-(2,4-dimethyl-5-thiazolyl)-nutty thiazoleFEMA No. 32671-(2,4-Dimethylthiazol-5-yl)ethan-1-onePD36FU2WGY2,4-Dimethyl-5-thiazoyl methyl ketone1-(2,4-Dimethyl-5-thiazolyl)ethanoneKetone, 2,4-dimethyl-5-thiazolyl methyl
名称をさらに表示
5-アセチル-2,4-ジメチルチアゾール1-(2,4-ジメチルチアゾール-5-イル)エタノン1-(2,4-ジメチル-5-チアゾリル)エタノン2,4-ジメチル-5-アセチルチアゾール5‐アセチル‐2,4‐ジメチルチアゾール5-アセチル-2,4-ジメチルチアゾール, 97%1-(2,4-ジメチル-1,3-チアゾール-5-イル)エタン-1-オンFEMA 3267FEMA NUMBER 3267TIMTEC-BB SBB0066245-Acetyl-2,4-dimethyltriazole2,4-Dimethyl-5-acetylthiozole2,4-DIMETHYL-5-ACETHYLTHIAZOLE
1-(dimethyl-1,3-thiazol-5-yl)ethan-1-oneEINECS 253-826-02,4-dimethyl-5-acetyl-thiazoleDIMETHYL-5-ACETYLTHIAZOLE, 2,4-2,4-DIMETHYL-5-ACETYL-THIAZOLE [FHFI]RefChem:4437501-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanoneMFCD00005331

データベース識別子

CAS
38205-60-6
PubChem CID
520888
DTXSID
DTXSID8047680
ChEMBL
CHEMBL3185257
ChEBI
CHEBI:169013
UNII
PD36FU2WGY
EC Number
253-826-0
Nikkaji
J37.312E

物性

構造計算による物性

XLogP
1.8
極性表面積
58.2 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
1
重原子数
10

実験および物理化学的性質

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.147-1.152
Flavoring AgentsEU Flavoring substances
Solubility · 3 件

slightly

Insoluble in water; Soluble in fats, oils, most organic solvents

Miscible at room temperature (in ethanol)

Boiling Point · 2 件

228.00 to 230.00 °C. @ 760.00 mm Hg

228-230 °C

Refractive Index1.536-1.547

物理化学的性質

沸点
228 · 228-230 °C (lit.)
比重(密度)
1.15 g/mL · 1.15 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.543(lit.)
FEMA
3267 · 3267 | 2,4-DIMETHYL-5-ACETYLTHIAZOLE
闪点
220 °F · 220 °F
貯蔵温度
2 · 2-8°C

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.1%): 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 1593 reports by companies from 7 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Ethanone, 1-(2,4-dimethyl-5-thiazolyl)-

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

Ethanone, 1-(2,4-dimethyl-5-thiazolyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (97.1%)

安全データ

wgk
3
hs_code
29349990
risk_code
36/37/38-43-22
化審法
(5)-209
消防法
危-4-3-III
hazard_code
Xi,Xn

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 3 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

応用分野

用途有機合成原料。

一般的な説明Conversion of 5-acetyl-2,4-dimethylthiazoleoxime by SeO2 via deoximation to 5-acetyl-2,4-dimethylthiazole has been reported.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

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