HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bornanol, 2-methyl-
47523-u · Geosmin&2-Methylisoborneol · 2-Methylisoboreneol · 2-METHYLISOBORNEOLE · 2-methylisoborneol solution · 2-Methylisoborneol Standard · (R)-(+)-EXO-2-METHYLISOBORNEOL · 2-Methylisoborneol in Methanol
Identifikatoren & physikalische Daten
| CAS No. | 2371-42-8 |
|---|---|
| Summenformel | C11H20O |
| Durchschnittliche Molmasse | 168,28 g/mol |
| Monoisotopische Masse | 168,15141526 g/mol |
| SMILES | CC1(O)CC2CCC1(C)C2(C)C |
| InChIKey | LFYXNXGVLGKVCJ-UHFFFAOYSA-N |
| PubChem CID | 16913 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 221 |
| Schmelzpunkt | 170 °C168 °C |
| Physical Description | Solid |
| Siedepunkt | 208.7±8.0 °C(Predicted) |
| Dichte | 0.968±0.06 g/cm3(Predicted) |
| Flammpunkt | 9℃ |
| Lagerbedingungen | -20°C |
| Löslichkeit | Chloroform (Slightly), Ethanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 15.43±0.60(Predicted) |
| Farbe | White to Off-White Waxy |
| Geruch | at 100.00 %. earthy musty |
| Geruchsart | earthy |
| Henry-Konstante | 8.9×10-2 mol/(m3Pa) at 25℃, \"Omür-\"Ozbek and Dietrich (2005) |
| InChI | 1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8-,10-,11-/m1/s1 |
| InChIKey | LFYXNXGVLGKVCJ-FBIMIBRVSA-N |
| SMILES | CC1(C)[C@@H]2CC[C@@]1(C)[C@](C)(O)C2 |
| LogP (Verteilungskoeffizient) | 2.931 (est) |
| EPA chemische Informationen | Bicyclo[2.2.1]heptan-2-ol, 1,2,7,7-tetramethyl-, (1R,2R,4R)-rel- (2371-42-8) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 2 |
|---|---|
| UN-Transportnummer | UN 1230 3/PG 2 |
| R-Sätze (R) | 11-23/24/25-39/23/24/25 |
| Gefahrensymbole | F,T |
| Sicherheitshinweise (S) | 7-16-36/37-45 |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrenklasse | Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1 |
Anwendungen & Verwendung
Verwenden
2-Methylisoborneol can be used as a reactant: To prepare N-[(1R,2R,4R)-1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-yl]acetamide by reacting with acetonitrile in the presence of boron trifluoride etherate. In the enantioselective total synthesis of geissoschizine as well as geissoschizol.