HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Ethylpent-1-yn-3-ol
3-ethyl-1-pentyn-3-o · 3-ETHYNYL-3-PENTANOL · 3-ETHYL-1-PENTYN-3-OL · DIETHYLETHYNYLCARBINOL · 3-Pentanol, 3-ethynyl- · 1-Pentyn-3-ol, 3-ethyl- · DIETHYL-ETHENYL-CARBINOL · diaethyl-aethenyl-carbinol
Identifikatoren & physikalische Daten
| CAS No. | 6285-06-9 |
|---|---|
| Summenformel | C7H12O |
| Durchschnittliche Molmasse | 112,17 g/mol |
| Monoisotopische Masse | 112,088815 g/mol |
| SMILES | C#CC(O)(CC)CC |
| InChIKey | PUNRPAWKFTXZIW-UHFFFAOYSA-N |
| PubChem CID | 22698 |
| EC No. | 228-512-1 |
| DTXSID | DTXSID30212018 |
| Lokaler Name | 3-Ethylpent-1-yn-3-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 103 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | -32.2°C |
| Siedepunkt | 138-140 °C (lit.) |
| Dichte | 0.872 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.439 |
| Flammpunkt | 38°C |
| pKa (Säurekonstante) | 13.34±0.29(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Löslichkeit | Not miscible in water. |
| BRN | 1740944 |
| InChI | 1S/C7H12O/c1-4-7(8,5-2)6-3/h1,8H,5-6H2,2-3H3 |
| InChIKey | PUNRPAWKFTXZIW-UHFFFAOYSA-N |
| SMILES | CCC(O)(CC)C#C |
| CAS Datenbank | 6285-06-9(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Pentyn-3-ol, 3-ethyl-(6285-06-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29052900 |
| RTECS-Nr. | SC4857000 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Ethyl-1-pentyn-3-ol is used in agrochemical, pharmaceutical and dyestuff field .