HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methylbut-1-en-3-in
2-METHYLBUT-1-EN-3-YNE · 1-Buten-3-yne, 2-methyl- · Valylene · 2-Methylbutenyne · CH2=C(CH3)CequivCH · 2-Methyl-1-butenyne · ISOPROPENYLACETYLENE · Isopropenylancetylene
Identifikatoren & physikalische Daten
| CAS No. | 78-80-8 |
|---|---|
| Summenformel | C5H6 |
| Durchschnittliche Molmasse | 66,1 g/mol |
| Monoisotopische Masse | 66,04695019 g/mol |
| SMILES | C#CC(=C)C |
| InChIKey | BOFLDKIFLIFLJA-UHFFFAOYSA-N |
| PubChem CID | 62323 |
| EC No. | 201-144-9 |
| DTXSID | DTXSID20228648 |
| Lokaler Name | 2-Methylbut-1-en-3-in |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 79,5 |
| Stoffklassen | Flammable agents - 4th degree |
| SpringerMaterials Properties | Coriolis coupling |
| Schmelzpunkt | -113 °C |
| Siedepunkt | 32 °C(lit.) |
| Dichte | 0.695 g/mL at 25 °C(lit.) |
| Dampfdruck | 8.96 psi ( 20 °C) |
| Brechungsindex | n20/D 1.416(lit.) |
| Flammpunkt | 20 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Chloroform, MethanolNot miscible in water. |
| Aggregatzustand | Liquid |
| Farbe | Clear |
| BRN | 969175 |
| InChI | 1S/C5H6/c1-4-5(2)3/h1H,2H2,3H3 |
| InChIKey | BOFLDKIFLIFLJA-UHFFFAOYSA-N |
| SMILES | CC(=C)C#C |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH224 (95.7%): Extremely flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Hazard Classes and Categories | Flam. Liq. 1 (95.7%)Flammable agents - 4th degree, Reactive agents - 2nd degree |
| F | 10-19-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3295 3/PG 1 |
| Zollcode | 29012900 |
| RTECS-Nr. | EN0960000 |
| R-Sätze (R) | 12-20/22-36/37/38-65 |
| Gefahrensymbole | F+,Xn,F,Xi |
| Sicherheitshinweise (S) | 16-26-36/37-62 |
| Gefahrenklasse | 3Acute Tox. 4 OralAsp. Tox. 1Eye Irrit. 2Flam. Liq. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | I |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Methyl-1-buten-3-yne is a reagent used in analytical studies to determine the aroma compounds present in various things by using pyrolysis gas chromatography mass spectrometry techniques.