HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pent-2-yn-1-ol
pent-2-yn-1-ol · CCC#CCO · 2-pentyn-1-0l · 2-PENTYN-2-OL · 1-pentyn-1-ol · 2-PENTYN-1-OL · 2-PENTYNE-1-OL · 2-Pentyn-1-ol>2-Pentyn-1-ol 98%
Identifikatoren & physikalische Daten
| CAS No. | 6261-22-9 |
|---|---|
| Summenformel | C5H8O |
| Durchschnittliche Molmasse | 84,12 g/mol |
| Monoisotopische Masse | 84,05751488 g/mol |
| SMILES | CCC#CCO |
| InChIKey | WLPYSOCRPHTIDZ-UHFFFAOYSA-N |
| PubChem CID | 80421 |
| EC No. | 228-411-2 |
| DTXSID | DTXSID0064177 |
| Lokaler Name | Pent-2-yn-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 72,4 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | -49.7°C |
| Siedepunkt | 84-85 °C/57 mmHg (lit.) |
| Dichte | 0.909 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.452(lit.) |
| Flammpunkt | 137 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 13.04±0.10(Predicted) |
| Farbe | Colorless to Light yellow to Light orange |
| BRN | 1734007 |
| InChI | 1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3 |
| InChIKey | WLPYSOCRPHTIDZ-UHFFFAOYSA-N |
| SMILES | CCC#CCO |
| CAS Datenbank | 6261-22-9(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Pentyn-1-ol (6261-22-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Pentyn-1-ol |
| Hazard Classes and Categories | Flam. Liq. 3 (97.8%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 2905190098 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Pentyn-1-ol was employed as starting reagent for the synthesis of (-)-muricatacin. It was also used in the preparation of (2Z)-3-tributylstannyl-2-penten-1-ol.