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Octahydro-4,7-methano-5H-inden-5-on
Octahydro-5H-4,7-methanoinden-5-one · Corodane · tricyclodecane-8-one · TRICYCLO[5.2.1.0]DECAN-8-ONE · Tricyclo[5.2.1.02.6]-8-decanone · TRICYCLO[5.2.1.02'6]DECAN-8-ONE · TRICYCLO[5.2.1.02,6]DECAN-8-ONE · Tricyclo[5.2.1.0(2,6)]decanone-8
Identifikatoren & physikalische Daten
| CAS No. | 13380-94-4 |
|---|---|
| Summenformel | C10H14O |
| Durchschnittliche Molmasse | 150,22 g/mol |
| Monoisotopische Masse | 150,10446507 g/mol |
| SMILES | O=C1CC2CC1C1CCCC21 |
| InChIKey | OMIDXVJKZCPKEI-UHFFFAOYSA-N |
| PubChem CID | 96509 |
| ChEMBL | CHEMBL3188674 |
| EC No. | 236-458-5 |
| DTXSID | DTXSID9047463 |
| Lokaler Name | Octahydro-4,7-methano-5H-inden-5-on |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 209 |
| Duftstoffe | Fragrance Ingredient (Tricyclo[5.2.1.02,6]decan-8-one) -> IFRA transparency List |
| Siedepunkt | 132 °C / 30mmHg |
| Dichte | 1.05 |
| Brechungsindex | 1.5000 to 1.5030 |
| Flammpunkt | 102 °C |
| Lagerbedingungen | Storage temp. 2-8°C |
| Löslichkeit | Slightly soluble in water |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 2.017 (est) |
| CAS Datenbank | 13380-94-4 |
| EPA chemische Informationen | 4,7-Methano-5H-inden-5-one, octahydro- (13380-94-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 86.1% (205 of 238) of all reports.WarningH302+H312 (12.2%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 238 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 4,7-Methano-5H-inden-5-one, octahydro- |
| Weitere Sicherheitsinformationen | IMAP assessments - 4,7-Methano-5H-inden-5-one, octahydro-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (13.4%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2914.29.5000 |
| RTECS-Nr. | PC0350000 |
| Toxizität | LD50 orl-rat: 710 mg/kg TXAPA9 28,313,74 |
Anwendungen & Verwendung
Verwenden
Octahydro-4,7-methano-5H-inden-5-one is a useful synthetic intermediate. It is used as a reagent to synthesize hindered olefins such as diamantanol. It can also be used as a reagent to enhance the glass transition temperature of polymethyl methacrylate (PMMA).