HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(2S)-hexan-2-ol
(S)-Hexan-2-ol · (S)-2-HEXANOL · (S)-(+)-HEXANOL · (2S)-hexan-2-ol · 2-Hexanol, (2S)- · (S)-(+)-2-HEXANOL · (S)-(+)-2-hexylol · S-(+)-2-Hexanol,98%
Identifikatoren & physikalische Daten
| CAS No. | 52019-78-0 |
|---|---|
| Summenformel | C6H14O |
| Durchschnittliche Molmasse | 102,17 g/mol |
| SMILES | CCCC[C@H](C)O |
| InChIKey | QNVRIHYSUZMSGM-LURJTMIESA-N |
| PubChem CID | 638097 |
| EC No. | 624-727-3 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 35,2 |
| Schmelzpunkt | -48.42°C (estimate) |
| Siedepunkt | 137-138 °C (lit.) |
| Dichte | 0.818 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.415(lit.) |
| Flammpunkt | 124 °F |
| Lagerbedingungen | Flammables area |
| pKa (Säurekonstante) | 15.31±0.20(Predicted) |
| Geruch | at 100.00 %. mushroom green ripe berry astringent metallic |
| Geruchsart | earthy |
| Löslichkeit | Slightly soluble in water |
| BRN | 1718997 |
| InChI | 1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m0/s1 |
| InChIKey | QNVRIHYSUZMSGM-LURJTMIESA-N |
| SMILES | CCCC[C@H](C)O |
| LogP (Verteilungskoeffizient) | 1.754 (est) |
| CAS Datenbank | 52019-78-0(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Hexanol, (S)-(52019-78-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1992 3/PG 3 |
| Zollcode | 2905190098 |
| R-Sätze (R) | 10-22-36/37/38-36-51/53 |
| Gefahrensymbole | Xn,Xi,F,N |
| Sicherheitshinweise (S) | 16-26-36-39-61 |
| Gefahrenklasse | 3Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
S)-(+)-2-Hexanol is the S enantiomer used in the preparation of key intermediates for model studies in the total synthesis of antivirally active glycolipid cycloviracin B1.