노나디에날
노나디에날 · 트랜스,트랜스,-2,4-노나다이엔알 · 2,4-Nonadienal, (E,E)- · (e,e)-2,4-nonadienal · 2,4-NONADIENAL · 2,4-NONADIEN-1-AL · (2E,4E)-Nona-2,4-dienal · FEMA 3212
식별자 및 물리적 특성
| CAS No. | 30551-17-8 |
|---|---|
| 분자식 | C9H14O |
| 평균 분자량 | 138.21 g/mol |
| 단동위원소 질량 | 138.10446507 g/mol |
| SMILES | CCCC/C=C/C=C/C=O |
| InChIKey | ZHHYXNZJDGDGPJ-BSWSSELBSA-N |
| PubChem CID | 5283339 |
| ChEMBL | CHEMBL4074177 |
| EC No. | 227-629-5 |
| DTXSID | DTXSID30884198 |
| 현지명 | 노나디에날 |
화학 및 물리적 성질
| XLogP | 2.7 |
|---|---|
| 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 |
| 물질 분류 | Other Classes -> Aldehydes |
| 지질 | Fatty Acyls [FA] -> Fatty aldehydes [FA06] |
| 밀도 | 0.850-0.8700.862 g/mL at 25 °C(lit.) |
| 용해도 | soluble in fixed oilsInsoluble in watersoluble (in ethanol)클로로포름(가용성), DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 끓는 점 | 97 °C (10 mm Hg)97-98 °C10 mm Hg(lit.) |
| 굴절률 | 1.522-1.525n20/D 1.5207(lit.) |
| Physical Description | Yellow or green liquid[Aldrich MSDS]Slightly yellow liquidstrong, fatty, floral |
| 증기 밀도 | >1 (vs air) |
| FEMA | 3212 | 2,4-NONADIENAL |
| 인화점 | 186 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | Liquid |
| 색상 | 약간 노란색 액체 |
| 냄새 | 강하고 기름진 꽃향기 |
| 향취 유형 | 지방이 많은 |
| 생물학적 소스 | synthetic |
| 용해도 | 불용성 |
| JECFA Number | 1185 |
| 안정성 | 감광성 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+ |
| InChIKey | ZHHYXNZJDGDGPJ-BSWSSELBSA-N |
| SMILES | [H]C(=O)\C([H])=C([H])\C([H])=C(/[H])CCCC |
| LogP(분배 계수) | 2.65 |
| NIST | 2,4-Nonadienal, (E,E)-(5910-87-2) |
| EPA | 2,4-Nonadienal, (2E,4E)- (5910-87-2) |
화학적 성질
clear colorless to yellow liquid
안전 및 규제
| GHS 분류 | WarningH317 (> 99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1436 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 2,4-Nonadienal, (E,E)-Chemical: Nonadienal2,4-Nonadienal, (2E,4E)-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| 유해성 요약 | May cause irritation[Aldrich MSDS] See 2,4-Hexadienal. |
| Hazard Classes and Categories | Skin Sens. 1 (> 99.9%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | NA 1993 / PGIII |
| 관세 코드 | 29121900 |
| 안전 문구(S) | 24/25 |
| 기존화학 물질 | KE-26066 |
| 저장 분류 | 10 - Combustible liquids |
용도
출처
Reported found in oxidized flavor of skim milk, in peas by enzymatic formation from lipids, salmon oil, sunflower oil (cis-, trans-, and trans, trans-form), the autooxidation of lard, frozen peas, tomatoes and as a volatile component in fish products. Also reported found in cranberry, asparagus, wheat bread, caviar, Russian cheeses, chicken, cooked beef, mutton, lamb and pork, cognac, filberts, peanuts, popcorn, oatmeal, soybean, olive, beans, mushrooms, Brazil nut, rice and buckwheat.
용도
trans,trans-2,4-Nonadienal is an unsaturated aldehyde that is responsible for the bean odour of soymilk. trans,trans-2,4-Nonadienal has also been identified as a potentially mutagenic substance by inducing oxidative DNA damage.
일반 설명
trans,trans-2,4-Nonadienal forms adduct in the presence of tetrahydrofuran (THF).