HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(3E)-3-Penten-2-ol
Fr-2138 · (3E)-pent-3-en-2-ol · 3-Penten-2-ol, (3E)- · (±)-trans-pent-3-en-2-ol · 3-Penten-2-ol, predominantly · 3-Penten-2-ol, predominantly trans 96% · 3-Penten-2-ol 96% predominantly trans · 3-Penten-2-ol, predominantly trans
Identifikatoren & physikalische Daten
| CAS No. | 1569-50-2 |
|---|---|
| Summenformel | C5H10O |
| Durchschnittliche Molmasse | 86,13 g/mol |
| Monoisotopische Masse | 86,07316494 g/mol |
| SMILES | C/C=C/C(C)O |
| InChIKey | GJYMQFMQRRNLCY-ONEGZZNKSA-N |
| PubChem CID | 5366239 |
| EC No. | 609-603-9 |
| DTXSID | DTXSID501316091 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 47,9 |
| Schmelzpunkt | 14.19°C (estimate) |
| Siedepunkt | 119-121 °C(lit.) |
| Dichte | 0.843 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.428(lit.) |
| Flammpunkt | 82 °F |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 14.77±0.20(Predicted) |
| InChI | 1S/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3/b4-3+ |
| InChIKey | GJYMQFMQRRNLCY-ONEGZZNKSA-N |
| SMILES | C\C=C\C(C)O |
| LogP (Verteilungskoeffizient) | 0.990 (est) |
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 39 reports by companies from 1 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 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrenklasse | Flam. Liq. 3 |
Anwendungen & Verwendung
Verwenden
3-Penten-2-ol is a constituent of the kiwi fruit that can be analysed by multidimensional gas chromatography-olfactometry (GC-O).