HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(Tricyclo[3.3.1.13,7]dec-1-yl)ethanol
ST5202977 · EU-0033464 · IDI1_019540 · AKOS BB-8707 · ZINC01271108 · Oprea1_402313 · 188115_ALDRICH · ChemDiv3_000222
![Molekülstruktur von 2-(Tricyclo[3.3.1.13,7]dec-1-yl)ethanol](/img/chemical/110810.png)
Identifikatoren & physikalische Daten
| CAS No. | 6240-11-5 |
|---|---|
| Summenformel | C12H20O |
| Durchschnittliche Molmasse | 180,29 g/mol |
| Monoisotopische Masse | 180,15141526 g/mol |
| SMILES | OCCC12CC3CC(CC(C3)C1)C2 |
| InChIKey | ZBIDZPHRNBZTLT-UHFFFAOYSA-N |
| PubChem CID | 110810 |
| EC No. | 228-353-8 |
| DTXSID | DTXSID30211465 |
| Lokaler Name | 2-(Tricyclo[3.3.1.13,7]dec-1-yl)ethanol |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 168 |
| Schmelzpunkt | 66-69 °C(lit.) |
| Siedepunkt | 253.13°C (rough estimate) |
| Dichte | 0.9003 (rough estimate) |
| Brechungsindex | 1.5050 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Insoluble in water |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 15.32±0.10(Predicted) |
| Farbe | White to Almost white |
| BRN | 1855382 |
| Stabilität | Stable. Incompatible with strong oxidizing agents, strong acids, acid halides. |
| InChI | InChI=1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2 |
| InChIKey | ZBIDZPHRNBZTLT-UHFFFAOYSA-N |
| SMILES | C12(CCO)CC3CC(CC(C3)C1)C2 |
| CAS Datenbank | 6240-11-5(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Adamantaneethanol(6240-11-5) |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29061990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Adamantaneethanol was used in the synthesis of:4-(adamant-1-ylethylenoxycarbonyl)phthalanhydridepoly(2-methoxy-5-cyclohexylmethyloxy-p-phenylene vinylene)adamantine-containing phthalocyanines