HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Oct-3-in-1-ol
oct-3-yn-1-ol · octynol · 3-OCTYN-1-OL · 3-OCTYNE-1-OL · 1-octylne-3-ol · 3-Octyn-1-ol>3-Octyn-1-ol,98% · 3-OCTYN-1-OL 98% · TIMTEC-BB SBB009106
Identifikatoren & physikalische Daten
| CAS No. | 14916-80-4 |
|---|---|
| Summenformel | C8H14O |
| Durchschnittliche Molmasse | 126,2 g/mol |
| Monoisotopische Masse | 126,10446507 g/mol |
| SMILES | CCCCC#CCCO |
| InChIKey | LRZGRGVRZSDRTK-UHFFFAOYSA-N |
| PubChem CID | 84694 |
| EC No. | 238-986-1 |
| DTXSID | DTXSID8065828 |
| Lokaler Name | Oct-3-in-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 104 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | -39°C (estimate) |
| Siedepunkt | 86-88 °C (9 mmHg) |
| Dichte | 0.880 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.4569(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Storage temp. 2-8°C |
| pKa (Säurekonstante) | 14.34±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Löslichkeit | It is soluble in water. |
| BRN | 1739950 |
| InChI | 1S/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-4,7-8H2,1H3 |
| InChIKey | LRZGRGVRZSDRTK-UHFFFAOYSA-N |
| SMILES | CCCCC#CCCO |
| CAS Datenbank | 14916-80-4(CAS DataBase Reference) |
| EPA chemische Informationen | 3-Octyn-1-ol (14916-80-4) |
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29052900 |
| RTECS-Nr. | 238-986-1 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Octyn-1-ol, is used for a study of the reduction of acetylenic compounds, including this alcohol, to (E)-alkenes by alkali metals in liquid ammonia. Some other applications includes as corrosion inhibitor formulation, metal complex solution, solvent stabilizer, biodegradable chemical intermediate to make pharmaceuticals, chemical compound synthesis and reagents