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Cyclododecanon
Cyclododecanon · Cyclododecanone · 1-Cyclododecanone · CYCLODODECAN-1-ONE · Cyclododecanone >CDON),Cyclododecano · CYCLODODECANONE, 99+% · Cyclododecanone (CDON) · Cyclododecanone, ≥ 99.0%
Identifikatoren & physikalische Daten
| CAS No. | 830-13-7 |
|---|---|
| Summenformel | C12H22O |
| Durchschnittliche Molmasse | 182,3 g/mol |
| Monoisotopische Masse | 182,16706532 g/mol |
| SMILES | O=C1CCCCCCCCCCC1 |
| InChIKey | SXVPOSFURRDKBO-UHFFFAOYSA-N |
| PubChem CID | 13246 |
| ChEMBL | CHEMBL1883853 |
| ChEBI | CHEBI:177614 |
| EC No. | 212-595-6 |
| DTXSID | DTXSID3027322 |
| Lokaler Name | Cyclododecanon |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 126 |
| Stoffklassen | Other Classes -> Aliphatic Ketones, Other |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 4.10 |
| Schmelzpunkt | 59 °C59-61 °C (lit.) |
| Dampfdruck | 0.0075 [mmHg]<1 hPa (20 °C) |
| Physical Description | Solid[IUCLID] Colorless crystalline lumps[MSDSonline] |
| Siedepunkt | 85 °C/1 mmHg (lit.) |
| Dichte | 0.906 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.4571 (estimate) |
| Flammpunkt | 118 °C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 0.045g/l26mg/L at 20℃ |
| Aggregatzustand | Adhering Crystals |
| Farbe | Colorless to white |
| BRN | 508621 |
| InChI | 1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2 |
| InChIKey | SXVPOSFURRDKBO-UHFFFAOYSA-N |
| SMILES | O=C1CCCCCCCCCCC1 |
| LogP (Verteilungskoeffizient) | 4.1 at 20℃ |
| CAS Datenbank | 830-13-7(CAS DataBase Reference) |
| EPA chemische Informationen | Cyclododecanone (830-13-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | H411 (100%): 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 180 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: CyclododecanoneStatus: Active Update: 26-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1731Cyclododecanone: 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 human health |
| Gefahrenübersicht | May cause irritation[MSDSonline] |
| Hazard Classes and Categories | Aquatic Chronic 2 (100%) |
| Entsorgungsverfahren | TREATING WASTE GAS & WASTE SOLUTION FROM THE OXIDATION OF ORGANIC COMPOUNDS WITH NITRIC ACID. |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Toxicity Data | LC50 (rat) > 25,000 mg/m3 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9/PG 3 |
| Zollcode | 2914 29 00 |
| RTECS-Nr. | GU2301520 |
| R-Sätze (R) | 51/53-53-51 |
| Toxizität | LD50 orally in Rabbit: > 2500 mg/kg |
| Gefahrensymbole | N |
| Sicherheitshinweise (S) | 60-61 |
Anwendungen & Verwendung
Verwenden
Cyclododecanone is a general chemical reagent used in organic synthesis.