HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methyl-1-pentyne
1-Pentyne, 4-methyl- · Isobutylethyne · CH≡CCH2CH(CH3)2 · 4-methylpentyne · ISOBUTYLACETYLENE · 4-Methyl-1-pentyne · 4-methyl-pent-1-yne · (CH3)2CHCH2CequivCH
Identifikatoren & physikalische Daten
| CAS No. | 7154-75-8 |
|---|---|
| Summenformel | C6H10 |
| Durchschnittliche Molmasse | 82,14 g/mol |
| Monoisotopische Masse | 82,07825032 g/mol |
| SMILES | C#CCC(C)C |
| InChIKey | OXRWICUICBZVAE-UHFFFAOYSA-N |
| PubChem CID | 138948 |
| EC No. | 627-544-7 |
| DTXSID | DTXSID00221778 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 61 |
| Kovats Retention Index | 550552553 |
| Schmelzpunkt | -104.6°C |
| Siedepunkt | 61-62 °C (lit.) |
| Dichte | 0.698 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.393(lit.) |
| Flammpunkt | 24 °F |
| Lagerbedingungen | Refrigerator |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Insoluble in water. Soluble in common organic solvents of low polarity. |
| BRN | 1731077 |
| Henry-Konstante | 4.5×10-4 mol/(m3Pa) at 25℃, Yaws (2003) |
| InChI | 1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3 |
| InChIKey | OXRWICUICBZVAE-UHFFFAOYSA-N |
| SMILES | CC(C)CC#C |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H304 (25.9%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Asp. Tox. 1 (25.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 1 |
| Zollcode | 29012990 |
| R-Sätze (R) | 11 |
| Gefahrensymbole | F |
| Sicherheitshinweise (S) | 16-33 |
| Gefahrenklasse | 3Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
4-Methyl-1-pentyne, is used as a polymer matrix together with synthesized NH2-MIL 53 metal organic framework (MOF) as a filler were used to fabricate a mixed matrix membrane (MMM). It is also used in addition reactions which are typical in alkyne reactions such as halogenation, hydrogenation, hydrohalogenation, hydration, oxidative cleavage, nitrile formation and acidity of terminal alkynes. Polymerisation and substitution reactions are also useful in chemical synthesis.