아세틸(5-)-2,4-디메틸티아졸

2,4-Dimethyl-5-acetylthiazole

HCID 520888CAS 38205-60-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(=O)c1sc(C)nc1C
InChIKey
BLQOKWQUTLNKON-UHFFFAOYSA-N
분자식
C7H9NOS
평균 분자량
155.22 g/mol
단동위원소 질량
155.04048491

개요

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

이름 및 식별자

우선 이름
2,4-Dimethyl-5-acetylthiazole
IUPAC
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
현지명
아세틸(5-)-2,4-디메틸티아졸
영어명
5-Acetyl-2,4-dimethylthiazole
분자식
C7H9NOS
분자량
155.22

이름 및 동의어

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
이름 더 보기
2,4-디메틸-5-아세틸티아졸아세틸(5-)-2,4-디메틸티아졸5-아세틸-2,4-다이메틸티아졸5-아세틸-2,4-디메틸티아졸FEMA 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.8
극성 표면적
58.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
10

실험 및 물리화학적 성질

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

slightly

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

Miscible at room temperature (in ethanol)

Boiling Point · 2건

228.00 to 230.00 °C. @ 760.00 mm Hg

228-230 °C

Refractive Index1.536-1.547

물리화학적 성질

끓는 점
228 · 228-230 °C (lit.)
밀도
1.15 g/mL · 1.15 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.543(lit.)
FEMA
3267 · 3267 | 2,4-DIMETHYL-5-ACETYLTHIAZOLE
인화점
220 °F · 220 °F
저장 조건
2 · 2-8°C

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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%)

안전 데이터

wgk
3
HS 번호
29349990
risk_code
36/37/38-43-22
hazard_code
Xi,Xn
safety_code
26-37/39-36/37/39
Hazard Classifications
Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야

일반 설명Conversion of 5-acetyl-2,4-dimethylthiazoleoxime by SeO2 via deoximation to 5-acetyl-2,4-dimethylthiazole has been reported.

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]
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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