5-(2-ヒドロキシエチル)-4-メチルチアゾル

4-Methyl-5-(2-hydroxyethyl)thiazole

基本情報

CAS: 137-00-8
標準SMILES: Cc1ncsc1CCO
InChIKey: BKAWJIRCKVUVED-UHFFFAOYSA-N
分子式: C6H9NOS
平均分子量: 143.21 g/mol
単同位体質量: 143.04048508

概要

5-(2-hydroxyethyl)-4-methylthiazole is a 1,3-thiazole that is thiazole substituted by a methyl group at position 4 and a 2-hydroxyethyl group at position 5. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a primary alcohol and a member of 1,3-thiazoles. It is functionally related to a 5-(2-hydroxyethyl)-1,3-thiazole. It derives from a hydride of a thiazole.

名称と識別子

優先名称: 4-Methyl-5-(2-hydroxyethyl)thiazole
IUPAC: 2-(4-methyl-1,3-thiazol-5-yl)ethanol
現地名: 5-(2-ヒドロキシエチル)-4-メチルチアゾル
英語名: 5-(2-Hydroxyethyl)-4-methylthiazole
分子式: C6H9NOS
分子量: 143.21

名称と別名

4-METHYL-5-THIAZOLEETHANOL137-00-85-(2-Hydroxyethyl)-4-methylthiazoleHemineurine5-Thiazoleethanol, 4-methyl-2-(4-Methyl-1,3-thiazol-5-yl)ethanol4-Methyl-5-thiazolethanol4-Methyl-5-(2-hydroxyethyl)thiazole4-Methyl-5-hydroxyethylthiazole4-Methyl-5-thiazolylethanol2-(4-Methylthiazole-5-yl)ethanol4-Methyl-5-hydroxethylthiazole

名称をさらに表示

5-(2-ヒドロキシエチル)-4-メチルチアゾル4-メチル-5-(2-ヒドロキシエチル)チアゾール5-ヒドロキシエチル-4-メチルチアゾール2-(4-メチルチアゾール-5-イル)エタノール5-(2-ヒドロキシエチル)-4-メチルチアゾール4-メチル-5-チアゾールエタノール4-メチルチアゾール-5-エタノール4-メチル-5-チアゾルエタノル4メチル5チアゾ-ルエタノ-ル4-メチルー5-(2'-ヒドロキシエチル)チアゾール4-メチル-5-（2’-ヒドロキシエチル）チアゾール4‐メチル‐5‐チアゾールエタノール2-(4-メチル-1,3-チアゾール-5-イル)エタノール5-(2-ヒドロキシエチル)-4-メチルチアゾール, 98%SULFUROL2-(4-METHYLTHIAZOL-5-YL)ETHANOLFEMA 3204MHTSulfurol(Meat)METHYLHYDROXYETHYLTHIAZOLE

物性

構造計算による物性

XLogP: 0.8
極性表面積: 61.4 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 89.1

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

FragrancesFragrance Ingredient (4-Methyl-5-thiazoleethanol) -> IFRA transparency List

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

Density1.196-1.210

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

Soluble in water, ether, benzene, chloroform

Miscible at room temperature (in ethanol)

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 82.5% (350 of 424) of all reports.

Warning

H315 (17.2%): 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 424 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 5 件

Chemical: 5-Thiazoleethanol, 4-methyl-

Regulation (EC) No 1831/2003 (amended)

5-Thiazoleethanol, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 5-Thiazoleethanol, 4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: 2-(4-methylthiazol-5-yl)ethanol (EC: 205-272-6)

5-Thiazoleethanol, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesSkin Irrit. 2 (17.2%)

安全データ

F: 13
wgk: 3
tsca: TSCA listed
hs_code: 29341000
risk_code: 36/37/38
消防法: 危-4-3-III

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

U.S. Production2023: 9 lb

Consumer UsesFragrance

Household ProductsInformation on 3 consumer products that contain 2-(4-Methyl-1,3-thiazol-5-yl)ethanolÃ¢â¬Â¨ in the following categories is provided:

Use Classification · 6 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information5-Thiazoleethanol, 4-methyl-: ACTIVE

応用分野 · 5 件

用途有機合成原料。

説明4-Methy 1-5-thiazoleethanol has the characteristic disagreeable odor of thiazole compounds. It is somewhat pleasant and nut-like on extreme dilution. It may be prepared by reduction of ethyl- 4-methylthiazole-5-acetate using LiAlH4; by condensation of thioformamide with bromoacetopropanol or with y,y-dichloro-y,ydiacetodipropyl ether.

天然物の起源Reported found in grilled and roasted beef, cognac, brandy, Finnish whiskey, cocoa, peanuts, beans and malt.

使用5-(2-Hydroxyethyl)-4-methylthiazole has been used in the synthesis of novel thiazolium halogenide ionic liquids.

一般的な説明4-Methyl-5-thiazoleethanol is a sulfur-containing heterocyclic flavor compound that is reported to occur in Comté cheese and Panax ginseng.

化合物ノート

読み込み中…

部分構造検索類似構造を探す

基本情報

CAS: 137-00-8
標準SMILES: Cc1ncsc1CCO
InChIKey: BKAWJIRCKVUVED-UHFFFAOYSA-N
分子式: C6H9NOS
平均分子量: 143.21 g/mol
単同位体質量: 143.04048508

概要