Nonan-2-ol
FEMA 3315 · NONAN-2-OL · 2-Nonanol · 2-Nonanoll · NONANOL, 2- · n-Nonan-2-ol · 2-Nonanol>2-Nonanol,99% · 2-Nonanol 99%
Identifikatoren & physikalische Daten
| CAS No. | 628-99-9 |
|---|---|
| Summenformel | C9H20O |
| Durchschnittliche Molmasse | 144,25 g/mol |
| Monoisotopische Masse | 144,15141526 g/mol |
| SMILES | CCCCCCCC(C)O |
| InChIKey | NGDNVOAEIVQRFH-UHFFFAOYSA-N |
| PubChem CID | 12367 |
| ChEMBL | CHEMBL454517 |
| ChEBI | CHEBI:78304 |
| EC No. | 211-065-1 |
| DTXSID | DTXSID60862323 |
| Lokaler Name | Nonan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 61,7 |
| Lipide | Fatty Acyls [FA] -> Fatty alcohols [FA05] |
| Duftstoffe | Fragrance Ingredient (2-Nonanol) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.823-0.847 (20 °C)0.827 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | 0.259 mg/mL at 15 °Cinsoluble in watersoluble in alcohol and oils(in ethanol)<577mg/L(25 ºC) |
| Siedepunkt | 193.00 to 194.00 °C. @ 760.00 mm Hg193-194 °C193-194 °C(lit.) |
| Schmelzpunkt | -35.5 °C−36-−35 °C(lit.) |
| Brechungsindex | 1.426-1.432n20/D 1.431(lit.) |
| Physical Description | Liquidcolourless liquid |
| FEMA | 3315 | 2-NONANOL |
| Flammpunkt | 180 °F |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 15.33±0.20(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Geruch | at 10.00 % in dipropylene glycol. waxy green creamy citrus orange cheese fruity |
| Geruchsart | waxy |
| Biologische Quelle | synthetic |
| JECFA Number | 293 |
| BRN | 1719466 |
| Henry-Konstante | 2.1×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Hauptanwendungen | flavors and fragrances |
| InChI | 1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3 |
| InChIKey | NGDNVOAEIVQRFH-UHFFFAOYSA-N |
| SMILES | CCCCCCCC(C)O |
| LogP (Verteilungskoeffizient) | 3.35 |
| CAS Datenbank | 628-99-9(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Nonanol (628-99-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1% (2 of 201) of reports.WarningH315 (99%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 201 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Nonanol2-Nonanol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Skin Irrit. 2 (99%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29051990 |
| R-Sätze (R) | 36/38-34-11 |
| Gefahrensymbole | Xi,C,F |
| Sicherheitshinweise (S) | 26-36-45-36/37/39-16 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
2-Nonanol has a powerful fruity-green odor. Synthesized from nonene.
Occurrence
Reported found in Ruta pinnata leaf oil, coconut oil, apple, banana, orange juice, kumquat peel oil, guava, strawberry, asparagus, clove, ginger, many cheeses, beer, cognac, rum, malt whiskey, white wine, passion fruit, mushroom, buckwheat, sweet corn, Bourbon vanilla and truffle
Verwenden
2-Nonanol finds some use in perfume compositions, mainly as part of the topnote complex in green-floral bases, such as Gardenia or Carnation, or it may be a trace component in spice compositions where it introduces a pleasant freshness, particularly if there is a citrus note present. It gives a similar effect in Lavender or other herbaceous compositions. The alcohol finds limited use in flavor compositions as a trace ingredient in Coconut flavors or in various spice blends.
Herstellung & Synthese
synthetische
From nonene