(2E,4E)-Hepta-2,4-dienal
(E,E)-2,4-Heptadienal · 2,4-HEPTADIENAL · Heptadienal · (2E,4E)-hepta-2,4-dienal · FEMA 3164 · TRANS-2-TRANS-4-HEPTADIENAL · 2,4-Heptadienal,(E,E)- · (E,E)-hepta-2,4-dienal
식별자 및 물리적 특성
| CAS No. | 4313-03-5 |
|---|---|
| 분자식 | C7H10O |
| 평균 분자량 | 110.156 g/mol |
| 단동위원소 질량 | 110.07316494 g/mol |
| SMILES | CC/C=C/C=C/C=O |
| InChIKey | SATICYYAWWYRAM-VNKDHWASSA-N |
| PubChem CID | 5283321 |
| ChEMBL | CHEMBL2269080 |
| ChEBI | CHEBI:132837 |
| EC No. | 224-328-0 |
| DTXSID | DTXSID60872846 |
화학 및 물리적 성질
| 녹는점 | 84.5 °C |
|---|---|
| 끓는 점 | 85 °C/20 mmHg |
| 밀도 | 0.88 |
| 굴절률 | 1.53 |
| FEMA | 3164 | (2E,4E)-HEPTADIENAL |
| 인화점 | 63 °C |
| 저장 조건 | 2-8°C |
| 용해도 | 아세토니트릴(약간), 클로로포름(약간), 아세트산에틸(약간)에 용해됨 |
| 물리적 상태 | clear liquid |
| 색상 | Light yellow to Brown |
| 냄새 | 디프로필렌 글리콜 중 1.00%. 지방이 많은 녹색 기름진 알데히드 야채 케이크 계피 |
| 향취 유형 | 지방이 많은 |
| 생물학적 소스 | synthetic |
| 용해도 | 불용성 |
| JECFA Number | 1179 |
| BRN | 1699244 |
| 안정성 | 감광성 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+ |
| InChIKey | SATICYYAWWYRAM-VNKDHWASSA-N |
| SMILES | CC\C=C\C=C\C=O |
| LogP(분배 계수) | 1.59 |
| NIST | 2,4-Heptadienal, (E,E)-(4313-03-5) |
| EPA | 2,4-Heptadienal, (2E,4E)- (4313-03-5) |
화학적 성질
clear yellow liquid
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 2810 6.1/PG 3 |
| 관세 코드 | 29121900 |
| 위험 문구(R) | 22-24-38 |
| 위험 표시 | T,Xi |
| 안전 문구(S) | 36/37-45 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 3 DermalAcute Tox. 4 OralSkin Irrit. 2 |
| F 고인화성물질 | 10-23 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
개요
2,4-Heptadienal retards or prevents the development of "off-flavors" in auto-oxidizing fats and oils. May be prepared by reduction with LiAlH4 of the dienoic acid prepared by the Doebner synthesis, followed by oxidation with Mn02 of the resulting dienol to the corresponding dienol; by the method of Marshall and Whiting.
출처
Reported found as a volatile component in boiled chicken, in peas by enzymatic formation from lipids, as the odorous component in Vaccinium macrocarpon; additional products in which 2,4-heptadienal has been reportedly identifed include soybean oil, black-tea aroma (trans- and cis-form); bilberry aroma (Vaccinium myrtillus); frozen peas, sunfower oil, autooxidized lard, salted salmon, sturgeon caviar and salmon roe; the trans,trans-form has been reported found among the volatile favor components of potato chips and tomato Also reported found in natural sources including cranberry, guava, melon, blackberry, avocado, cabbage, raw or cooked potato, tomato, butter, lean fsh, smoked fsh, chicken fat, cooked chicken, beef fat, tea, cooked beef, lamb and pork, peanut oil, peanut butter, mango, caulifower, broccoli, tamarind, fgs, corn tortillas, lemon balm, oysters, crayfsh, clams, mate and Virginia tobacco
일반 설명
2,4-Heptadienal is a specific marker of oxidative rancidity. It is also a potential algal metabolite.