2,6-Nonadienal, (2E,6Z)-
(E,Z)-2,6-nonadienal · (2E,6Z)-Nonadienal · (2E,6Z)-nona-2,6-dienal · trans,cis-2,6-Nonadienal · Violet leaf aldehyde · FEMA 3377 · NONADIENAL-2,6 · T2 C6 NONADIENAL
식별자 및 물리적 특성
| CAS No. | 557-48-2 |
|---|---|
| 분자식 | C9H14O |
| 평균 분자량 | 138.21 g/mol |
| 단동위원소 질량 | 138.10446507 g/mol |
| SMILES | CCC=CCC/C=C/C=O |
| InChIKey | HZYHMHHBBBSGHB-YCZBXKBJSA-N |
| PubChem CID | 6992048 |
| EC No. | 209-178-6 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 123 |
| 향료 | Fragrance Ingredient (Nona-2-trans-6-cis-dienal) -> IFRA transparency List |
| 끓는 점 | 94-95 °C18 mm Hg(lit.) |
| 밀도 | 0.86 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.474(lit.) |
| FEMA | 3377 | NONA-2-TRANS-6-CIS-DIENAL |
| 인화점 | 181 °F |
| 저장 조건 | Refrigerator |
| 용해도 | 에탄올과 대부분의 비휘발성 오일에 용해되며 물에는 용해되지 않습니다. |
| 물리적 상태 | 기름 |
| 색상 | 약간 노란색 액체 |
| 냄새 | 오이향이 강함 |
| 향취 유형 | 녹색 |
| 생물학적 소스 | synthetic |
| JECFA Number | 1186 |
| 헨리 상수 | 8.2×10-2 mol/(m3Pa) at 25℃, \"Omür-\"Ozbek and Dietrich (2005) |
| 주요 응용 | 청소용품화장품향료 및 향음식 및 음료개인 위생 관리 |
| 화장품 원료 기능 | 향수향료향기 |
| InChI | 1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+ |
| InChIKey | HZYHMHHBBBSGHB-ODYTWBPASA-N |
| SMILES | [H]C(=O)C(\[H])=C(/[H])CC\C([H])=C(\[H])CC |
| LogP(분배 계수) | 2.60 |
| EPA | 2,6-Nonadienal, (2E,6Z)- (557-48-2) |
화학적 성질
Nona-2-trans-6-cis-dienal is a clear colorless to pale yellow liquid that has an odor reminiscent of green cucumber. The organoleptic character of this compound is attributed almost entirely to olfactory sensations. May be obtained from the steam distillation of fresh cucumber.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 6.9% (105 of 1526) of reports.WarningH315 (90.5%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1526 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 2,6-Nonadienal, (E,Z)-2,6-Nonadienal, (2E,6Z)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (90.5%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | RA5391800 |
| 운송 번호(UN) | NA 1993 / PGIII |
| 독성 | LD50 orl-rat: >5 g/kg FCTOD7 20,769,82 |
| 관세 코드 | 2912.19.5000 |
| 위험 문구(R) | 36/37/38 |
| 안전 문구(S) | 24/25 |
| 기존화학 물질 | KE-26067 |
| 저장 분류 | 10 - Combustible liquids |
용도
출처
Reported as naturally occurring in violet leaves and flowers, in cucumber, sweet and sour cherry, guava, peas, tomato, potato, bell pepper, wheat bread, rye bread, milk, milk powder, fish and fish oil, roast chicken, guinea hen, beef, beer, coffee, tea, oats, mango, kelp, prickly pear, malt, dried bonito, endive, oysters, clam and mate.
용도
trans-2,cis-6-Nonadienal is an unsaturated aldehyde that is responsible for the cucumber smell of Synura petersenii, a freshwater colonial flagellate. trans-2,cis-6-Nonadienal is also a common natural and drinking water contaminant.
일반 설명
trans-2,cis-6-Nonadienal is the key contributor to the cucumber flavor. It is also found in mango ripened anchovy and kelp. Unialgal cultures of various Synurophycean species for the occurrence of trans-2,cis-6-nonadienal have been investigated.
제조 및 합성 방법
제조 방법
From natural hexenol