4-Methyl-5-thiazoleethanol acetate (HCID 61192)

概要

5-(2-Hydroxyethyl)-4-methylthiazole acetate is a member of thiazoles.

名称と識別子

優先名称: 4-Methyl-5-thiazoleethanol acetate
IUPAC: 2-(4-methyl-1,3-thiazol-5-yl)ethyl acetate
現地名: 酢酸2-(4-メチル-5-チアゾリル)エチル
英語名: 4-Methyl-5-thiazolylethyl acetate
分子式: C8H11NO2S
分子量: 185.24

名称と別名

656-53-12-(4-Methylthiazol-5-yl)ethyl acetate2-(4-Methyl-5-thiazolyl)ethyl acetate4-Methyl-5-(2-acetoxyethyl)thiazole4-Methyl-5-thiazoleethanol acetatesulfuryl acetate5-(2-Acetoxyethyl)-4-methylthiazole5-THIAZOLEETHANOL, 4-METHYL-, ACETATE (ESTER)FEMA No. 32055-Thiazoleethanol, 4-methyl-, acetate4-Methyl-5-(beta-acetoxyethyl)thiazole4-Methyl-5-thiazolylethanol acetate

名称をさらに表示

酢酸2-(4-メチル-5-チアゾリル)エチル酢酸2-(4-メチルチアゾール-5-イル)エチル5-(2-アセトキシエチル)-4-メチルチアゾールスルフリルアセテ-ト酢酸4-メチル-5-チアゾリルエチル酢酸4‐メチル‐5‐チアゾリルエチルSULFUROL ACETATEFEMA 32054-Methyl-5-thiazolylethyl acetate, Sulfurol acetateBerry acidFEMA NUMBER 3205Thiazolyl acetateLABOTEST-BB LT00012611Febuxostat Impurity 134Thioacetic acid S-ester

DTXSID80609595-Thiazoleethanol, 4-methyl-, 5-acetate4-Methyl-5-(2-hydroxyethyl)thiazole acetate5-Thiazoleethanol, 4-methyl-, acetate esterEINECS 211-515-7885387Q99B4-METHYL-5-THIAZOLEETHANOL ACETATE [FHFI]4-METHYL-5-(.BETA.-ACETOXYETHYL)THIAZOLE

データベース識別子

CAS: 656-53-1
PubChem CID: 61192
DTXSID: DTXSID8060959
ChEBI: CHEBI:179422
UNII: 885387Q99B
EC Number: 211-515-7
Nikkaji: J24.663H

物性

構造計算による物性

XLogP: 1.4
極性表面積: 67.4 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 12
形式電荷: 0
複雑度: 163

実験および物理化学的性質

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

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

Density1.145-1.149

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

Slightly soluble in water; Soluble in organic solvents

Miscible at room temperature (in ethanol)

Boiling Point · 2 件

117.00 to 118.00 °C. @ 6.00 mm Hg

117-118 °C (6 mm Hg)

物理化学的性質

融点: 112 °C · 112 °C
沸点: 117 · 117-118 °C6 mm Hg(lit.)
比重(密度): 1.147 g/mL · 1.147 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.51(lit.)
FEMA: 3205 · 3205 | 4-METHYL-5-THIAZOLEETHANOL ACETATE
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 3.26 · 3.26±0.10(Predicted)
外見: 液体
比重: 1.147 · 1.147
色: クリアブラウン
臭い (Odor): 100 %で。牛肉の匂い、肉汁の匂い · 100.00%で。牛肉の匂い、肉汁の匂い
においのタイプ: 肉の風味
由来生物: synthetic
JECFA Number: 1054 · 1054
主な用途: フレーバーそして香料
InChI: 1S/C8H11NO2S/c1-6-8(12-5-9-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3
InChIKey: CRTCWNPLKVVXIX-UHFFFAOYSA-N
SMILES: CC(=O)OCCc1scnc1C
LogP: 0.98 · 0.98
CAS データベース: 656 · 656-53-1(CAS DataBase Reference)
EPAの化学物質情報: 5 · 5-Thiazoleethanol, 4-methyl-, acetate (ester) (656-53-1)

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 · 5 件

This chemical does not meet GHS hazard criteria for 6.3% (90 of 1424) of reports.

Warning

H332 (90.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P271, P304+P340, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 1424 reports by companies from 11 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: 5-Thiazoleethanol, 4-methyl-, acetate (ester)

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

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

Hazard Classes and CategoriesAcute Tox. 4 (90.4%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3334
hs_code: 29341000
risk_code: 36/37/38
化審法: (5)-6975
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-37/39-24/25
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralSTOT SE 3
ストレージクラス: 10 - Combustible liquids

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 Information5-Thiazoleethanol, 4-methyl-, 5-acetate: ACTIVE

応用分野 · 3 件

用途有機合成原料。

説明May be prepared from 2-methylthio-4-methyl-5-(2-acetoxyethyl)- thiazole and AlHg; by dehydrogenation with sulfur at 130°C of the (i-acetyl derivative of 4-methyl-5-(P-hydroxyethyl)-3-thiazoline.

使用4-Methyl-5-thiazolylethyl Acetate is used in biological study for research on contribution of oxidized tallow to aroma characteristics of beeflike process flavor assessed by gas chromatography-mass spectrometry and partial least squares regression.

調製方法

製造方法From 2-methylthio-4-methyl-5-(2-acetohxyethyl)-thiazole and AlHg; by dehydrogenation with sulfur at 130°C of the β-acetyl derivative of 4-methyl-5-(β-hydroxyethyl)-3-thiazoline

上流・下流製品情報

上流原料

アマルガム 1,4-ジオキサンホルムアミド

下流製品

5-(2-ヒドロキシエチル)-4-メチルチアゾル

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

酢酸2-(4-メチル-5-チアゾリル)エチル

基本情報

概要