데이터를 보충하는 중입니다. 보통 1분 이내에 완료됩니다
기본 정보
- 표준 SMILES
CC(=O)OCCc1scnc1C- InChIKey
CRTCWNPLKVVXIX-UHFFFAOYSA-N- 분자식
- C8H11NO2S
- 평균 분자량
- 185.248 g/mol
- 단동위원소 질량
- 185.05104959
이름 및 식별자
- 우선 이름
- 4-Methyl-5-thiazoleethanol acetate
- IUPAC
- 2-(4-Methyl-1,3-thiazol-5-yl)ethyl acetate
- 영어명
- 4-Methyl-5-thiazolylethyl acetate
- 분자식
- C8H11NO2S
- 분자량
- 185.24
이름 및 동의어
SULFUROL ACETATEFEMA 32054-METHYL-5-THIAZOLEETHANOL ACETATE4-Methyl-5-thiazolylethyl acetate, Sulfurol acetateBerry acidFEMA NUMBER 3205Thiazolyl acetateLABOTEST-BB LT00012611Febuxostat Impurity 134Thioacetic acid S-ester
데이터베이스 식별자
- CAS
656-53-1- PubChem CID
- 61192
- DTXSID
DTXSID8060959- ChEBI
CHEBI:179422- UNII
- 885387Q99B
- EC Number
- 211-515-7
- Nikkaji
- J24.663H
물성
물리화학적 성질
- 녹는점
- 112 °C · 112 °C
- 끓는 점
- 117 · 117-118 °C6 mm Hg(lit.)
- 밀도
- 1.147 g/mL · 1.147 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.51(lit.)
- FEMA
- 3205 · 3205 | 4-METHYL-5-THIAZOLEETHANOL ACETATE
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 3.26 · 3.26±0.10(Predicted)
- 물리적 상태
- 액체
- Specific Gravity
- 1.147 · 1.147
- 색상
- 클리어 브라운
- 냄새
- 100 %에서 · 100.00%에서. 쇠고기 냄새, 육즙이 풍부한 맛
- 냄새 유형
- 고기가 많은
- 생물학적 소스
- synthetic
- JECFA Number
- 1054 · 1054
- 주요 응용
- 향료 및 향
- 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
- EPA
- 5 · 5-Thiazoleethanol, 4-methyl-, acetate (ester) (656-53-1)
화학적 성질
Colorless to light yellow liqui
안전 및 규제
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3334
- HS 번호
- 29341000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralSTOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
개요May 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.
용도4-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.
제조 방법
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
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