(2E,6Z)-Nona-2,6-dien-1-al
(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
Identifikatoren & physikalische Daten
| CAS No. | 557-48-2 |
|---|---|
| Summenformel | C9H14O |
| Durchschnittliche Molmasse | 138,21 g/mol |
| Monoisotopische Masse | 138,10446507 g/mol |
| SMILES | CCC=CCC/C=C/C=O |
| InChIKey | HZYHMHHBBBSGHB-YCZBXKBJSA-N |
| PubChem CID | 6992048 |
| EC No. | 209-178-6 |
| Lokaler Name | (2E,6Z)-Nona-2,6-dien-1-al |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 123 |
| Duftstoffe | Fragrance Ingredient (Nona-2-trans-6-cis-dienal) -> IFRA transparency List |
| Siedepunkt | 94-95 °C18 mm Hg(lit.) |
| Dichte | 0.86 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.474(lit.) |
| FEMA | 3377 | NONA-2-TRANS-6-CIS-DIENAL |
| Flammpunkt | 181 °F |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Soluble in ethanol and most non volatile oils, insoluble in water. |
| Aggregatzustand | Oil |
| Farbe | Sltly yellow liquid |
| Geruch | powerful, violet-cucumber odor |
| Geruchsart | green |
| Biologische Quelle | synthetic |
| JECFA Number | 1186 |
| Henry-Konstante | 8.2×10-2 mol/(m3Pa) at 25℃, \"Omür-\"Ozbek and Dietrich (2005) |
| Hauptanwendungen | cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMINGFLAVOURINGFRAGRANCE |
| 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 (Verteilungskoeffizient) | 2.60 |
| CAS Datenbank | 557-48-2(CAS DataBase Reference) |
| EPA chemische Informationen | 2,6-Nonadienal, (2E,6Z)- (557-48-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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. |
|---|---|
| Regulatorische Informationen | 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%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 2912.19.5000 |
| RTECS-Nr. | RA5391800 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 orl-rat: >5 g/kg FCTOD7 20,769,82 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Occurrence
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.
Verwenden
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.
Herstellung & Synthese
synthetische
From natural hexenol