아세틸(5-)-2,4-디메틸티아졸
2,4-Dimethyl-5-acetylthiazole
기본 정보
- CAS
38205-60-6- 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
- 형식 전하
- 0
- 복잡도
- 149
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.147-1.152
Flavoring AgentsEU Flavoring substances
Solubility
slightly
Insoluble in water; Soluble in fats, oils, most organic solvents
Miscible at room temperature (in ethanol)
Boiling Point
228.00 to 230.00 °C. @ 760.00 mm Hg
228-230 °C
Refractive Index1.536-1.547
Physical DescriptionClear, colourless to pale yellow liquid; slightly sulferous, meaty, nutty odour
Collision Cross Section129.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8047680]
물리화학적 성질
- 끓는 점
- 228 · 228-230 °C (lit.)
- 밀도
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
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
상류 원료
관련 반응
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