Methyl 2-hexenoate
FEMA 2709 · Methyl-2-Furaote · METHYL 2-HEXENOATE · METHYL T2 HEXENOATE · Methyl hex-2-enoate · 2-Hexenoic acid methyl · METHYL TRANS-2-HEXENOATE · Methyl trans-2-Hexanoate
식별자 및 물리적 특성
| CAS No. | 2396-77-2 |
|---|---|
| 분자식 | C7H12O2 |
| 평균 분자량 | 128.17 g/mol |
| 단동위원소 질량 | 128.08372962 g/mol |
| SMILES | CCCC=CC(=O)OC |
| InChIKey | GFUGBRNILVVWIE-UHFFFAOYSA-N |
| PubChem CID | 61310 |
| EC No. | 607-296-6 |
| DTXSID | DTXSID2062375 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 105 |
| 식품 첨가물 | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.911-0.9160.907±0.06 g/cm3(Predicted) |
| 향미제 | EU Flavoring substances |
| 용해도 | Very slightly soluble in watersoluble in oilsSoluble (in ethanol)Very slightly soluble in water, soluble in alcohol and oils |
| 끓는 점 | 168-170 °C56-58 °C(Press: 13 Torr) |
| 굴절률 | 1.423-1.429 |
| Physical Description | Colourless mobile liquidFruity aroma |
| 녹는점 | 32 °C |
| FEMA | 2709 | METHYL 2-HEXENOATE |
| 저장 조건 | 2-8°C |
| 물리적 상태 | mobile liquid |
| 색상 | Colorless |
| 냄새 | 100.00%에서. 지방 녹색 과일 파인애플 흙맛 |
| 향취 유형 | 지방이 많은 |
| JECFA Number | 1809 |
| LogP(분배 계수) | 2.38 |
| NIST | 2-Hexenoic acid, methyl ester(2396-77-2) |
| EPA | 2-Hexenoic acid, methyl ester (2396-77-2) |
화학적 성질
Methyl 2-hexenoate has a green, musty, earthy, sweet, fruity odor and a very powerful, sharp, green-fruity flavor
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 156 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 2-Hexenoic acid, methyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Hexenoic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2916199590 |
| 기존화학 물질 | KE-19863 |
용도
개요
Methyl 2-hexenoate has a green, musty, earthy, sweet, fruity odor with a very powerful, sharp, green-fruity flavor. May be prepared by boiling the corresponding acid with methanol in the presence of concentrated H2S04 in chloroform and subsequent elimination of water from the vapors using MgS04; also from 3-chloropropionic acid methyl ester and anhydrous sodium acetate in acetic acid.
출처
Reported found in papaya, peas, soursop and mountain papaya
용도
Methyl 2-hexenoate is used in flavor compositions for the type of fruit flavor demanding a rather sharp and green fruity topnote, such as Pineapple, Strawberry, etc. and in various fruit complexes. It is quite powerful, and the concentration used is normally equivalent to only 0.05 to 0.1 ppm in the finished product.
제조 및 합성 방법
제조 방법
By boiling the corresponding acid with methanol in the presence of concentrated H2SO4 in chloroform and subsequent elimination of water from the vapors using MgSO4; also from 3-chloropropionic acid methyl ester and anhydrous sodium acetate in acetic acid