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Non-3-en-2-on
TRANS-3-NONEN-2-ONE · non-3-en-2-one · FEMA 3955 · Non-3-en-2-on · 3-NONEN-2-ONE · 3-Nonen-2-one>(3E)-3-Nonen-2-one · 3-Nonen-2-one solution
Identifikatoren & physikalische Daten
| CAS No. | 14309-57-0 |
|---|---|
| Summenformel | C9H16O |
| Durchschnittliche Molmasse | 140,22 g/mol |
| Monoisotopische Masse | 140,12011513 g/mol |
| SMILES | CCCCCC=CC(C)=O |
| InChIKey | HDKLIZDXVUCLHQ-UHFFFAOYSA-N |
| PubChem CID | 26630 |
| EC No. | 238-248-9 |
| DTXSID | DTXSID2065753 |
| Lokaler Name | Non-3-en-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 114 |
| Dichte | 0.843-0.8460.848 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watersoluble in fatsMiscible at room temperature (in ethanol)Chloroform (Slightly), Methanol (Slightly) |
| Siedepunkt | 198 °C85 °C12 mm Hg(lit.) |
| Brechungsindex | 1.443-1.452n20/D 1.449(lit.) |
| Physical Description | Colourless liquidfruity-berry |
| FEMA | 3955 | 3-NONEN-2-ONE |
| Flammpunkt | 179 °F |
| Lagerbedingungen | Amber Vial, -20°C Freezer, Under inert atmosphere |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| Geruch | at 100.00 %. fruity berry fatty oily ketonic weedy spicy licorice |
| Geruchsart | fruity |
| JECFA Number | 1136 |
| BRN | 1743558 |
| LogP (Verteilungskoeffizient) | 2.69 |
| CAS Datenbank | 14309-57-0(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Nonen-2-one(14309-57-0) |
| EPA chemische Informationen | 3-Nonen-2-one (14309-57-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 9.3% (136 of 1461) of reports.WarningH319 (90.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 1461 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012) |
| Hazard Classes and Categories | Eye Irrit. 2 (90.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN1197 - class 3 - PG 2 - VP <= 110kPa - Extracts, flavoring, liquid |
| Zollcode | 2914199090 |
| R-Sätze (R) | 11 |
| Gefahrensymbole | F |
| Sicherheitshinweise (S) | 16 |
Anwendungen & Verwendung
Verwenden
3-Nonen-2-one is a useful organic building block.