Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Phenethyl senecioate
FEMA 2869 · PHENYLETHYL-SENECIOATE · 2-Phenethyl senecioate · phenethyl 3-methylbut-2-enoate · 2-PHENYLETHYL-3-METHYLCROTANOATE · 2-phenylethyl 3-methylbut-2-enoate · Phenylethyl beta,beta-dimethylacrylate · 3-methyl-2-butenoicaci2-phenylethylester
식별자 및 물리적 특성
| CAS No. | 42078-65-9 |
|---|---|
| 분자식 | C13H16O2 |
| 평균 분자량 | 204.26 g/mol |
| 단동위원소 질량 | 204.11502975 g/mol |
| SMILES | CC(C)=CC(=O)OCCc1ccccc1 |
| InChIKey | QTCRFFUEUAXZNW-UHFFFAOYSA-N |
| PubChem CID | 61997 |
| ChEBI | CHEBI:195939 |
| EC No. | 255-649-4 |
| DTXSID | DTXSID5068366 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 221 |
| 식품 첨가물 | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.011-1.0191.012±0.06 g/cm3(Predicted) |
| 향미제 | EU Flavoring substances |
| 용해도 | Insoluble in watersoluble in oilsMiscible at room temperature (in ethanol)Practically insoluble in water, soluble in alcohol and oils. |
| 끓는 점 | 285.00 to 287.00 °C. @ 760.00 mm Hg285 °C306.3±21.0 °C(Predicted) |
| 굴절률 | 1.514-1.520 |
| Physical Description | Colourless oily liquidmild, deep-sweet, herbaceous-winey, discreetly floral balsamic odour |
| FEMA | 2869 | PHENETHYL SENECIOATE |
| 물리적 상태 | oily liquid |
| 색상 | Colorless |
| 냄새 | 100.00%에서. 깊고 달콤한 허브 와인 |
| 향취 유형 | 약초 |
| JECFA Number | 998 |
| LogP(분배 계수) | 4.06 |
| EPA | 2-Butenoic acid, 3-methyl-, 2-phenylethyl ester (42078-65-9) |
화학적 성질
Phenethyl senecioate has a mild, deep-sweet odor, somewhat herbaceous and winey. It has a sweet, winy, deep, fruity flavor.
안전 및 규제
| GHS 분류 | Not Classified |
|---|---|
| 규제 정보 | Chemical: 2-Butenoic acid, 3-methyl-, 2-phenylethyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Butenoic acid, 3-methyl-, 2-phenylethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| TSCA 등재 상태 | TSCA listed |
용도
용도
Phenethyl senecioate finds use in flavor compositions as a modifier in various wine and Liqueur flavors, usually at concentrations equal to 5 ppm in the finished product. It acts partly as a fixative for the more volatile wine esters, partly as undertone of dried fruits, as a sweetener.
제조 및 합성 방법
제조 방법
By esterification of phenethyl alcohol with 3-methylcrotonic acid.