trans,trans-Nona-2,4-dienal
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 · (E,E)-nona-2,4-dienal · (e,e)-4-nonadienal
Identifikatoren & physikalische Daten
| CAS No. | 30551-17-8 |
|---|---|
| Summenformel | C9H14O |
| Durchschnittliche Molmasse | 138,21 g/mol |
| Monoisotopische Masse | 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 |
| Lokaler Name | trans,trans-Nona-2,4-dienal |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 123 |
| Stoffklassen | Other Classes -> Aldehydes |
| Lipide | Fatty Acyls [FA] -> Fatty aldehydes [FA06] |
| Dichte | 0.850-0.8700.862 g/mL at 25 °C(lit.) |
| Löslichkeit | soluble in fixed oilsInsoluble in watersoluble (in ethanol)Chloroform (Soluble), DMSO (Slightly), Methanol (Sparingly) |
| Siedepunkt | 97 °C (10 mm Hg)97-98 °C10 mm Hg(lit.) |
| Brechungsindex | 1.522-1.525n20/D 1.5207(lit.) |
| Physical Description | Yellow or green liquid[Aldrich MSDS]Slightly yellow liquidstrong, fatty, floral |
| Dampfdichte | >1 (vs air) |
| FEMA | 3212 | 2,4-NONADIENAL |
| Flammpunkt | 186 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Slightly yellow liquid |
| Geruch | strong, fatty, floral odor |
| Geruchsart | fatty |
| Biologische Quelle | synthetic |
| JECFA Number | 1185 |
| Stabilität | Light Sensitive |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| 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 (Verteilungskoeffizient) | 2.65 |
| CAS Datenbank | 5910-87-2(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4-Nonadienal, (E,E)-(5910-87-2) |
| EPA chemische Informationen | 2,4-Nonadienal, (2E,4E)- (5910-87-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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. |
|---|---|
| Regulatorische Informationen | 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 |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Gefahrenübersicht | May cause irritation[Aldrich MSDS] See 2,4-Hexadienal. |
| Hazard Classes and Categories | Skin Sens. 1 (> 99.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 29121900 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Occurrence
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.
Verwenden
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.