2-아세틸티아졸
2-아세틸티아졸 · 2-아세틸싸이아졸 · 1-(thiazol-2-yl)ethan-1-one · 2-Acetylthiazol · FEMA 3328 · 1-(1,3-Thiazol-2-yl)ethanone · Acetylthiazole · FEMA NUMBER 3328
식별자 및 물리적 특성
| CAS No. | 24295-03-2 |
|---|---|
| 분자식 | C5H5NOS |
| 평균 분자량 | 127.17 g/mol |
| 단동위원소 질량 | 127.00918496 g/mol |
| SMILES | CC(=O)c1nccs1 |
| InChIKey | MOMFXATYAINJML-UHFFFAOYSA-N |
| PubChem CID | 520108 |
| ChEMBL | CHEMBL1589555 |
| ChEBI | CHEBI:173474 |
| EC No. | 246-134-5 |
| DTXSID | DTXSID0030162 |
| 현지명 | 2-아세틸티아졸 |
화학 및 물리적 성질
| XLogP | 1 |
|---|---|
| 극성 표면적 | 58.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 105 |
| 밀도 | 1.225-1.2291.227 g/mL at 25 °C (lit.) |
| 용해도 | Insoluble in waterSoluble in fats, oils, most organic solventsMiscible at room temperature (in ethanol) |
| 끓는 점 | 89.00 to 91.00 °C. @ 12.00 mm Hg89-91 °C (12 mm Hg)89-91 °C/12 mmHg (lit.) |
| 녹는점 | 64.5 - 65.5 °C65.5°C |
| 굴절률 | 1.543-1.550n20/D 1.548(lit.) |
| Physical Description | SolidClear, colourless to pale yellow, oily liquidcocoa, hazelnut, popcorn, bread-like odour |
| Kovats Retention Index | 98198610591038989979980995976973992993106410351042102510191008104610181014103610271040102016611652163716741644163516541660159616341667166216551610161516201646 |
| FEMA | 3328 | 2-ACETYLTHIAZOLE |
| 인화점 | 173 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | 분말 또는 결정 |
| pKa(산도 계수) | 0.05±0.10(Predicted) |
| 비중 | 1.23 |
| 색상 | 흰색에서 약간 노란색 |
| 냄새 | 디프로필렌 글리콜 중 0.10%. 고소한 팝콘 구운 땅콩 헤이즐넛 |
| 향취 유형 | 팝콘 |
| 생물학적 소스 | synthetic |
| JECFA Number | 1041 |
| BRN | 109803 |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3 |
| InChIKey | MOMFXATYAINJML-UHFFFAOYSA-N |
| SMILES | CC(=O)c1nccs1 |
| LogP(분배 계수) | 0.37 |
| NIST | 2-Acetylthiazole(24295-03-2) |
| EPA | Ethanone, 1-(2-thiazolyl)- (24295-03-2) |
화학적 성질
2-Acetylthiazole is a colorless to pale yellow liquid with green onion, herbal, grassy, hazelnuts, roasted meat, caramel, corn, and butter odor. Natural products are found in beef broth. Slightly soluble with water, soluble in most organic solvents. It is used in foods as antioxidant, as appearance control agent, and as flavoring ingredient.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 9.7% (153 of 1570) of reports.WarningH302 (90.1%): 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 1570 reports by companies from 13 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 153 of 1570 reports by companies.There are 12 notifications provided by 1417 of 1570 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Ethanone, 1-(2-thiazolyl)-Regulation (EC) No 1831/2003 (amended)Ethanone, 1-(2-thiazolyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Ethanone, 1-(2-thiazolyl)-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (90.1%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 3334 |
| 관세 코드 | 29341000 |
| 위험 문구(R) | 22-36-43-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-36/37-24/25-36 |
| 위험 등급 | STENCH |
| F 고인화성물질 | 13 |
| 위험 참고 사항 | Irritant/Stench |
| 저장 분류 | 10 - Combustible liquids |
용도
출처
2-Acetylthiazole is naturally found in raw asparagus, cooked asparagus, kohlrabi, cooked or boiled potatoes, turkey (roasted), raw chicken, boiled and cooked beef, grilled and roasted beef, pork liver, beer, Finnish whiskey, heated beans, other varieties of mushroom, rice bran, maize, and other natural sources.
용도
2-Acetylthiazole can be used as a flavoring agent in food industries. It may be used as a food additive in the preparation of ′fragrant′ rice. It also was used in the preparation of triazolothiazoles, chiral alcohols and in aldol condensation reactions.
일반 설명
2-Acetylthiazole is a volatile flavoring substance generally formed by the Maillard reaction between an amino acid and carbonyl compounds. It is reported to occur in canned sweet corn products, cooked pine mushroom, cooked asparagus and roasted beef.
제조 및 합성 방법
제조 방법
2-Acetylthiazole is formed by oxidation of the corresponding carbinol using dichromate.