에틸하이드록시피론
에틸하이드록시피론 · 2-ETHYL-3-HYDROXY-4-PYRONE · 2-ETHYL-3-HYDROXY-4H-PYRAN-4-ONE · FEMA 3487 · 6-ETHYL-3-HYDROXY-2-METHYL-4H-PYRAN-4-ONE · ETHYL HYDROXYPYRONE · 3-HYDROXY-2-ETHYL-4-PYRONE · 2-ethyl-3-hydroxypyran-4-one
식별자 및 물리적 특성
| CAS No. | 4940-11-8 |
|---|---|
| 분자식 | C7H8O3 |
| 평균 분자량 | 140.14 g/mol |
| 단동위원소 질량 | 140.04734412 g/mol |
| SMILES | CCc1occc(=O)c1O |
| InChIKey | YIKYNHJUKRTCJL-UHFFFAOYSA-N |
| PubChem CID | 21059 |
| ChEMBL | CHEMBL121557 |
| ChEBI | CHEBI:169105 |
| EC No. | 225-582-5 |
| DTXSID | DTXSID5041516 |
| 현지명 | 에틸하이드록시피론 |
화학 및 물리적 성질
| XLogP | 0.8 |
|---|---|
| 극성 표면적 | 46.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 213 |
| 향료 | Fragrance Ingredient (Ethyl maltol) -> IFRA transparency List |
| LogP(분배 계수) | 0.630 |
| 식품 첨가물 | COLOR OR COLORING ADJUNCT, FLAVORING AGENT OR ADJUVANT, PROCESSING AID -> FDA Substance added to food |
| 향미제 | EU Flavoring substances |
| 용해도 | Sparingly soluble in water, soluble in propylene glycolSoluble (in ethanol)클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| Animal Drugs | Pharmaceuticals -> UK Veterinary Medicines Directorate List |
| 끓는 점 | 289.00 to 290.00 °C. @ 760.00 mm Hg196.62°C (rough estimate) |
| 녹는점 | 90 - 91 °C85-95 °C (lit.) |
| Physical Description | SolidWhite crystalline powderSweet fruit-like aroma |
| 밀도 | 1.1624 (rough estimate) |
| 증기압 | 0.2Pa at 24℃ |
| 굴절률 | 1.4850 (estimate) |
| FEMA | 3487 | ETHYL MALTOL |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 8.38±0.10(Predicted) |
| 물리적 상태 | Solid |
| 색상 | 흰색에서 연한 노란색 |
| 냄새 | 벤질알코올 중 5.00%. 달콤한 카라멜 잼 딸기 솜사탕 |
| 향취 유형 | 캐러멜 같은 |
| 생물학적 소스 | synthetic |
| 용해도 | 9.345g/L at 24℃ |
| Merck | 14,3824 |
| JECFA Number | 1481 |
| 주요 응용 | 청소용품화장품향료 및 향음식 및 음료개인 위생 관리 |
| 화장품 원료 기능 | 향수향기 |
| InChI | 1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3 |
| InChIKey | YIKYNHJUKRTCJL-UHFFFAOYSA-N |
| SMILES | CCC1=C(O)C(=O)C=CO1 |
| LogP(분배 계수) | 2.9 at 25℃ |
| NIST | 4H-pyran-4-one, 2-ethyl-3-hydroxy-(4940-11-8) |
| EPA | 4H-Pyran-4-one, 2-ethyl-3-hydroxy- (4940-11-8) |
화학적 성질
Ethyl maltol has a very sweet, fruit-like odor of immense tenacity and sweet, fruity taste with initial bitter-tart flavor; rapid loss of flavor per se. It is four to six times more potent than maltol.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.3% (7 of 2365) of reports.WarningH302 (99.7%): 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 2365 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 4H-Pyran-4-one, 2-ethyl-3-hydroxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 15-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/225494H-Pyran-4-one, 2-ethyl-3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (99.7%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UQ0840000 |
| 독성 | LD50 orally in male mice, male rats, female rats, chicks (mg/kg): 780, 1150, 1200, 1270 (Gralla) |
| 관세 코드 | 29329990 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 36 |
| 기존화학 물질 | KE-13879 |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
출처
Has apparently not been reported to occur in nature.
용도
Ethyl Maltol is a flavoring agent that is a white, crystalline powder. it has a unique odor and a sweet taste that resembles fruit. the melt- ing point is 90°c. it is sparingly soluble in water and propylene gly- col and soluble in alcohol and chloroform. it is obtained by chemical synthesis.
일반 설명
Ethyl maltol is a synthetic homologue of maltol, often found as flavor enhancers and it contributes to the fragrance of commercials products such as cereals, breads, malt beverages, coffee, soybeans and chocolate milk.
제조 및 합성 방법
생산 방법
Unlike maltol, ethyl maltol does not occur naturally. It may be prepared by treating a-ethylfurfuryl alcohol with a halogen to produce 4-halo-6-hydroxy-2-ethyl-2H-pyran-3(6H)-one, which is converted to ethyl maltol by hydrolysis.
제조 방법
Several syntheses have been developed for its preparation. In a one-pot process, for example, -ethylfurfuryl alcohol is treated with halogen to give 4-halo- 6-hydroxy-2-ethyl-2H-pyran-3(6H)-one, which need not be isolated and can be converted to ethylmaltol by aqueous hydrolysis.