기본 정보
- CAS
15679-12-6- 표준 SMILES
CCc1nc(C)cs1- InChIKey
VGRVKVGGUPOCMT-UHFFFAOYSA-N- 분자식
- C6H9NS
- 평균 분자량
- 127.21 g/mol
- 단동위원소 질량
- 127.04557046
개요
2-Ethyl-4-methylthiazole is a member of thiazoles.
이름 및 식별자
- 우선 이름
- 2-Ethyl-4-methyl thiazole
- IUPAC
- 2-ethyl-4-methyl-1,3-thiazole
- 현지명
- 에틸-4-메틸티아졸
- 영어명
- 2-Ethyl-4-methyl thiazole
- 분자식
- C6H9NS
- 분자량
- 127.21
이름 및 동의어
2-ETHYL-4-METHYLTHIAZOLE15679-12-62-Ethyl-4-methyl thiazoleThiazole, 2-ethyl-4-methyl-2-Ethyl-4-methyl-1,3-thiazoleFEMA No. 3680LVC1ZV6X4UEINECS 239-757-9DTXSID60659232-ETHYL-4-METHYL THIAZOLE [FHFI]RefChem:471819DTXCID9035042
이름 더 보기
에틸-4-메틸티아졸2-에틸-4-메틸티아졸FEMA 3680FEMA NUMBER 36802-Ethyl-4-Methyl thi2-ethyl-4-methyl-thiazolETHYL-4-METHYLTHIAZOLE, 2-2-Ethyl-4-methylthiazole>2-Ethyl-4-methylthiazole ,99%
239-757-92-ethyl-4-methyl-thiazoleMFCD000366214-Methyl-2-ethylthiazoleUNII-LVC1ZV6X4USCHEMBL129955SCHEMBL129956SCHEMBL770836
데이터베이스 식별자
- CAS
15679-12-6- PubChem CID
- 27440
- DTXSID
DTXSID6065923- ChEBI
CHEBI:178615- UNII
- LVC1ZV6X4U
- EC Number
- 239-757-9
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 41.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 74.9
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2-Ethyl-4-methylthiazole) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.026-1.031
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; Soluble in fats
Miscible at room temperature (in ethanol)
Boiling Point
161.00 to 162.00 °C. @ 760.00 mm Hg
161-162 °C
Refractive Index1.500-1.510
Physical Description
Liquid
Colourless to pale yellow liquid; nutty, green odour
물리화학적 성질
- 끓는 점
- 161 · 161-162 °C(lit.)
- 밀도
- 1.026 g/mL · 1.026 g/mL at 25 °C(lit.)
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 1600 reports by companies from 10 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Thiazole, 2-ethyl-4-methyl-
Regulation (EC) No 1831/2003 (amended)
Thiazole, 2-ethyl-4-methyl-: 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
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29341000
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 16-26-36
- 포장분류
- III
- 위험 등급
- 3
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationThiazole, 2-ethyl-4-methyl-: ACTIVE
응용 분야
출처Reported found in roasted coffee, raspberry and roasted pork.
제조 방법
By esterification of cis-3-hexenol with benzoic acid.
상·하류 제품 정보
상류 원료
공급사100 곳
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