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Oxacyclododecan-2-on
undecanolide · omega-undecalactone · Ocacyclododecan-2-one · 1-Oxacyclododecan-2-one · 12-oxacyclododecan-1-one · Oxacyclododecan-2-one 98% · 11-Hydroxyundecanoicacid,lactone · 11-Hydroxyundecanoic acid, lactone
Identifikatoren & physikalische Daten
| CAS No. | 1725-03-7 |
|---|---|
| Summenformel | C11H20O2 |
| Durchschnittliche Molmasse | 184,27 g/mol |
| Monoisotopische Masse | 184,14632988 g/mol |
| SMILES | O=C1CCCCCCCCCCO1 |
| InChIKey | MVOSYKNQRRHGKX-UHFFFAOYSA-N |
| PubChem CID | 74409 |
| ChEBI | CHEBI:34136 |
| EC No. | 217-034-9 |
| DTXSID | DTXSID4061915 |
| Lokaler Name | Oxacyclododecan-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 143 |
| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704] |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | 2-3 °C (lit.) |
| Siedepunkt | 124-126 °C/13 mmHg (lit.) |
| Dichte | 0.992 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.47(lit.) |
| Flammpunkt | >230 °F |
| Aggregatzustand | liquid |
| BRN | 119564 |
| InChI | 1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2 |
| InChIKey | MVOSYKNQRRHGKX-UHFFFAOYSA-N |
| SMILES | O=C1CCCCCCCCCCO1 |
| LogP (Verteilungskoeffizient) | 3.058 (est) |
| EPA chemische Informationen | Oxacyclododecan-2-one (1725-03-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.Not Classified |
|---|---|
| Regulatorische Informationen | Chemical: Oxacyclododecan-2-oneChemical: Undecanoic acid, hydroxy-, lactoneREACH registered substance: Undecanolactone (EC: 254-399-3) |
| Weitere Sicherheitsinformationen | IMAP assessments - Undecanoic acid, hydroxy-, lactone: Human health tier I assessmentIMAP assessments - Oxacyclododecan-2-one: Human health tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Oxacyclododecan-2-one may be used in the preparation of 11-hydroxyundecanoic acid.