HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pent-4-yn-1-ol
4-PENTYNE-1-OL · 1-Pentyn-5-ol · 4-Pentin-1-ol · pent-1-yn-5-ol · 4-PENTYN-1-OL · 1-Pentyne-5-ol · 4-Pentyn-1-ol>4-Pentin-1-ol 97% · 4-Pentyn-1-ol,95%
Identifikatoren & physikalische Daten
| CAS No. | 5390-04-5 |
|---|---|
| Summenformel | C5H8O |
| Durchschnittliche Molmasse | 84,12 g/mol |
| Monoisotopische Masse | 84,05751488 g/mol |
| SMILES | C#CCCCO |
| InChIKey | CRWVOXFUXPYTRK-UHFFFAOYSA-N |
| PubChem CID | 79346 |
| EC No. | 226-383-6 |
| DTXSID | DTXSID70202175 |
| Lokaler Name | Pent-4-yn-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 57,6 |
| SpringerMaterials Properties | Schoenflies notation |
| Schmelzpunkt | -24.1°C (estimate) |
| Siedepunkt | 154-155 °C (lit.) |
| Dichte | 0.904 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.445(lit.) |
| Flammpunkt | 143 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform, MethanolMiscible with water. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 14.81±0.10(Predicted) |
| Farbe | Clear yellow |
| Wichte | 0.904 |
| BRN | 1736712 |
| InChI | 1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2 |
| InChIKey | CRWVOXFUXPYTRK-UHFFFAOYSA-N |
| SMILES | OCCCC#C |
| CAS Datenbank | 5390-04-5(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Pentyn-1-ol(5390-04-5) |
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)Aggregated GHS information provided per 60 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1987 |
| Zollcode | 29052900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | 3.2 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Pentyn-1-ol is an alkyne alcohol that is used as an initiator in ring-opening polymerization reactions. 4-Pentyn-1-ol is capable of undergoing cyclosisomerization, and is also used as a reactant in the synthesis of (+)-Serinolamide A, a cannabinoid CB1 receptor agonist.