HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 140751Erstellt: 4. November 2026
4-Hexyn-3-ol
4-HEXYN-3-OL · HEX-4-YN-3-OL · Ethyl 1-propynyl carbinol · 4-HEXYN-3-OL, 98%4-HEXYN-3-OL, 98%4-HEXYN-3-OL, 98%
https://huagongshe.com/de/chemical/140751
Identifikatoren & physikalische Daten
| CAS No. | 20739-59-7 |
|---|
| Summenformel | C6H10O |
|---|
| Durchschnittliche Molmasse | 98,14 g/mol |
|---|
| Monoisotopische Masse | 98,07316494 g/mol |
|---|
| SMILES | CC#CC(O)CC |
|---|
| InChIKey | KARLLBDFLHNKBO-UHFFFAOYSA-N |
|---|
| PubChem CID | 140751 |
|---|
| EC No. | 626-036-2 |
|---|
| DTXSID | DTXSID20942953 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|
| Polarare Oberfläche (TPSA) | 20,2 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 7 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 93,2 |
|---|
| Schmelzpunkt | -34°C (estimate) |
|---|
| Siedepunkt | 95°C 105mm |
|---|
| Dichte | 0,894 g/cm3 |
|---|
| Brechungsindex | 1.4500 |
|---|
| Flammpunkt | 94-95°C/105mm |
|---|
| pKa (Säurekonstante) | 13.21±0.20(Predicted) |
|---|
| BRN | 1739392 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
|---|
| UN-Transportnummer | 1987 |
|---|
| R-Sätze (R) | 10-50/53-22 |
|---|
| Gefahrensymbole | Xn,N |
|---|
| Sicherheitshinweise (S) | 23-24/25-61-60 |
|---|
| Gefahrenklasse | 3 |
|---|
| Verpackungsgruppe | III |
|---|
