4-Methyl-5-thiazoleethanol acetate
SULFUROL ACETATE · FEMA 3205 · 4-METHYL-5-THIAZOLEETHANOL ACETATE · 4-Methyl-5-thiazolylethyl acetate, Sulfurol acetate · Berry acid · FEMA NUMBER 3205 · Thiazolyl acetate · LABOTEST-BB LT00012611
식별자 및 물리적 특성
| CAS No. | 656-53-1 |
|---|---|
| 분자식 | C8H11NO2S |
| 평균 분자량 | 185.25 g/mol |
| 단동위원소 질량 | 185.05104959 g/mol |
| SMILES | CC(=O)OCCc1scnc1C |
| InChIKey | CRTCWNPLKVVXIX-UHFFFAOYSA-N |
| PubChem CID | 61192 |
| ChEBI | CHEBI:179422 |
| EC No. | 211-515-7 |
| DTXSID | DTXSID8060959 |
화학 및 물리적 성질
| XLogP | 1.4 |
|---|---|
| 극성 표면적 | 67.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 163 |
| 향료 | Fragrance Ingredient (4-Methyl-5-thiazoleethanol acetate) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.145-1.1491.147 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | Slightly soluble in waterSoluble in organic solventsMiscible at room temperature (in ethanol) |
| 끓는 점 | 117.00 to 118.00 °C. @ 6.00 mm Hg117-118 °C (6 mm Hg)117-118 °C6 mm Hg(lit.) |
| 녹는점 | 131 °C112 °C |
| 굴절률 | 1.505-1.515n20/D 1.51(lit.) |
| Physical Description | SolidColourless to yellow liquidmeaty odour |
| FEMA | 3205 | 4-METHYL-5-THIAZOLEETHANOL ACETATE |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 3.26±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 비중 | 1.147 |
| 색상 | 클리어 브라운 |
| 냄새 | 100.00%에서. 쇠고기 냄새, 육즙이 풍부한 맛 |
| 향취 유형 | 고기가 많은 |
| 생물학적 소스 | synthetic |
| JECFA Number | 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(분배 계수) | 0.98 |
| EPA | 5-Thiazoleethanol, 4-methyl-, acetate (ester) (656-53-1) |
화학적 성질
Colorless to light yellow liqui
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 6.3% (90 of 1424) of reports.WarningH332 (90.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P271, P304+P340, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 1424 reports by companies from 11 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 5-Thiazoleethanol, 4-methyl-, acetate (ester)Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)5-Thiazoleethanol, 4-methyl-, acetate (ester): Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (90.4%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3334 |
| 관세 코드 | 29341000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39-24/25 |
| 위험 등급 | Acute Tox. 4 InhalationAcute Tox. 4 OralSTOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
개요
May 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.
용도
4-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 및 합성 방법
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