HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methylbut-1-in
isopropylacetylene · Isopentyne · 3-Methylbutyne · 3-methyl-but-1-yne · 1-Isopentyne · Isopropylethyne · (CH3)2CHCequivCH · 2-Methyl-3-butyne
Identifikatoren & physikalische Daten
| CAS No. | 598-23-2 |
|---|---|
| Summenformel | C5H8 |
| Durchschnittliche Molmasse | 68,12 g/mol |
| Monoisotopische Masse | 68,06260026 g/mol |
| SMILES | C#CC(C)C |
| InChIKey | USCSRAJGJYMJFZ-UHFFFAOYSA-N |
| PubChem CID | 69019 |
| ChEBI | CHEBI:87379 |
| EC No. | 209-925-6 |
| DTXSID | DTXSID40208528 |
| Lokaler Name | 3-Methylbut-1-in |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 51,7 |
| SpringerMaterials Properties | Schoenflies notation |
| Schmelzpunkt | -89.7°C |
| Siedepunkt | 29,5°C |
| Dichte | 0.666 g/mL at 25 °C (lit.) |
| Flammpunkt | -30°(-22°F) |
| Brechungsindex | 1.374 |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Löslichkeit | Miscible with alcohol. Immiscible with water. |
| Henry-Konstante | 5.3×10-4 mol/(m3Pa) at 25℃, Yaws (2003) |
| InChI | 1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3 |
| InChIKey | USCSRAJGJYMJFZ-UHFFFAOYSA-N |
| SMILES | C#CC(C)C |
| CAS Datenbank | 598-23-2 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH224 (97.5%): Extremely flammable liquid and vapor [Danger 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 1 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3295 |
| Zollcode | 29012990 |
| R-Sätze (R) | 11-12 |
| Gefahrensymbole | F+ |
| Sicherheitshinweise (S) | 3/7-9-16-33 |
| Gefahrenklasse | 3.1Flam. Liq. 1 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Methyl-1-butyne is a terminal alkyne that under goes hydrosilylation reaction using phenylsilane. 3-Methyl-1-butyne is used as an intermediate for pharmaceuticals, in cosmetics and in chemical research.