4-메틸-5-(2`-하이드록시에틸)티아졸

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

HCID 1136CAS 137-00-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ncsc1CCO
InChIKey
BKAWJIRCKVUVED-UHFFFAOYSA-N
분자식
C6H9NOS
평균 분자량
143.21 g/mol
단동위원소 질량
143.04048491

개요

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.

이름 및 식별자

우선 이름
4-Methyl-5-(2-hydroxyethyl)thiazole
IUPAC
2-(4-methyl-1,3-thiazol-5-yl)ethanol
현지명
4-메틸-5-(2`-하이드록시에틸)티아졸
영어명
5-(2-Hydroxyethyl)-4-methylthiazole
분자식
C6H9NOS
분자량
143.21

이름 및 동의어

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-thiazolylethanol2-(4-Methylthiazole-5-yl)ethanol4-Methyl-5-hydroxyethylthiazole4-Methyl-5-hydroxethylthiazole
이름 더 보기
4-메틸-5-(2`-하이드록시에틸)티아졸설퍼롤SULFUROL2-(4-METHYLTHIAZOL-5-YL)ETHANOLFEMA 3204MHTSulfurol(Meat)METHYLHYDROXYETHYLTHIAZOLE5-THIAZOLEETHANOL,4-METHYL
2-(4-Methyl-1,3-Thiazol-5-Yl)Ethan-1-OlFEMA No. 32045-(beta-Hydroxyethyl)-4-methylthiazoleNSC-23262NSC-418314-methyl-5-(2-hydroxyethyl)-thiazole3XYV4I47I84-Methyl-5-(2'-hydroxyethyl)-thiazole

데이터베이스 식별자

CAS
137-00-8
PubChem CID
1136
DTXSID
DTXSID3044382
ChEMBL
CHEMBL1236482
ChEBI
CHEBI:17957
UNII
3XYV4I47I8
EC Number
205-272-6
Nikkaji
J5.626J

물성

구조 계산 물성

XLogP
0.8
극성 표면적
61.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
9

실험 및 물리화학적 성질

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 · 2건

Soluble in water, ether, benzene, chloroform

Miscible at room temperature (in ethanol)

물리화학적 성질

녹는점
25 °C · <25 °C
끓는 점
135 °C7 · 135 °C7 mm Hg(lit.)
밀도
1.196 g/mL · 1.196 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.550(lit.)
FEMA
3204 · 3204 | 4-METHYL-5-THIAZOLEETHANOL
인화점
230 °F · >230 °F

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 5건

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)

Status: Active Update: 19-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20105

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%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29341000
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

U.S. Production2023: 9 lb
Consumer UsesFragrance
Household ProductsInformation on 3 consumer products that contain 2-(4-Methyl-1,3-thiazol-5-yl)ethanol
 in the following categories is provided:
Use Classification · 6건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information5-Thiazoleethanol, 4-methyl-: ACTIVE
응용 분야 · 4건

개요4-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.

출처Reported found in grilled and roasted beef, cognac, brandy, Finnish whiskey, cocoa, peanuts, beans and malt.

용도5-(2-Hydroxyethyl)-4-methylthiazole has been used in the synthesis of novel thiazolium halogenide ionic liquids.

일반 설명4-Methyl-5-thiazoleethanol is a sulfur-containing heterocyclic flavor compound that is reported to occur in Comté cheese and Panax ginseng.

제조 방법

5-(2-Hydroxyethyl)-4-methylthiazole is prepared by reduction of ethyl-4-methylthiazole-5-acetate using LiAlH4; by condensation of thioformamide with bromoacetopropanol or with γ, y-dichloro-γ,γ-diacetodipropyl ether

상·하류 제품 정보

공급사50 곳

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
枣庄九星生物科技有限公司0632-3759569 13589608009
济南远泽生物科技有限公司15063396929; 15063396929

추가 설명

정의ChEBI: A 1,3-thiazole that is thiazole substituted by a methyl group at position 4 and a 2-hydroxyethyl group at position 5.

관련 반응

59건
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연결된 노트

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4-Methyl-5-(2-hydroxyethyl)thiazole (HCID 1136)｜Huagongshe