Decan-2-on
DECANONE · Decan-2-one · METHYL OCTYL KETONE · 46358 · 2-Decanon · 2-DECANONE · ecan-2-one · 2-Oxodecane
Identifikatoren & physikalische Daten
| CAS No. | 693-54-9 |
|---|---|
| Summenformel | C10H20O |
| Durchschnittliche Molmasse | 156,26 g/mol |
| Monoisotopische Masse | 156,15141526 g/mol |
| SMILES | CCCCCCCCC(C)=O |
| InChIKey | ZAJNGDIORYACQU-UHFFFAOYSA-N |
| PubChem CID | 12741 |
| ChEMBL | CHEMBL47127 |
| ChEBI | CHEBI:77929 |
| EC No. | 211-752-6 |
| DTXSID | DTXSID9022104 |
| Lokaler Name | Decan-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 97 |
| Lipide | Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12] |
| Solvents | Solvents -> Ketones (<C12) |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (2-Decanone) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 3.733.78 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.821-0.831 (20 °C)0.825 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | 0.0768 mg/mL at 25 °CInsoluble in watersoluble in fats and oilsInsoluble (in ethanol)Soluble in alcohol. Insoluble in water. |
| Flammpunkt | [ChemIDplus] 71 °C160 °F |
| Siedepunkt | 210.00 °C. @ 760.00 mm Hg210-212 °C211 °C (lit.) |
| Schmelzpunkt | 14 °C3.5 °C (lit.) |
| Dampfdichte | >1 (vs air) |
| Brechungsindex | n20/D 1.425(lit.) |
| FEMA | 4271 | 2-DECANONE |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | liquid |
| Farbe | Colorless to Almost colorless |
| Geruch | at 100.00 %. orange floral fatty peach |
| Geruchsart | floral |
| Biologische Quelle | synthetic |
| JECFA Number | 2074 |
| BRN | 1747463 |
| Henry-Konstante | 1.8×10-2 mol/(m3Pa) at 25℃, Ruth (2002) |
| Hauptanwendungen | cleaning productscosmeticsenvironmentalflavors and fragrancesfood and beveragespersonal care |
| InChI | 1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3 |
| InChIKey | ZAJNGDIORYACQU-UHFFFAOYSA-N |
| SMILES | CCCCCCCCC(C)=O |
| LogP (Verteilungskoeffizient) | 3.73 |
| CAS Datenbank | 693-54-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Decanone(693-54-9) |
| EPA chemische Informationen | 2-Decanone (693-54-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 11.2% (163 of 1451) of reports.H411 (88.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1451 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2-DecanoneCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Decanone: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Aquatic Chronic 2 (88.8%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 29141990 |
| RTECS-Nr. | HE0725000 |
| Toxizität | LD50 orl-mus: 7936 mg/kg TOLED5 30,13,86 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Occurrence
Reported found in rue oil China (1.31%), rue flower oil Colombia (1.25%), rue oil Cuba (0.72%), ambrette seed oil (0.10%), Croton flavens L. (Welensali) leaf oil Curacao (0.10%), cascarilla bark oil (0.06%) and violet flower absolute.
Verwenden
2-Decanone was used in the synthesis of brushed block copolymers via conjugation through an acid-labile hydrazone linker to poly(ethylene glycol)-poly(aspartate hydrazide) block copolymers; methyl ketones. 2-decanone is used as a solvent and an intermediate in synthesising pharmaceuticals and agrochemicals. 2-Decanone has very interesting effects, along with Oakmoss, one of the few materials sufficiently effective as a fixative for ketone. The well-known and highly appreciated topnotes of good quality Oakmoss are enhanced and beautified by small amounts of this ketone. It also finds limited application in flavours, particularly in imitation Coconut and Banana, where its dry-fruity character lends desirable notes.