HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hex-1-in-3-ol
hex-1-yn-3-ol · Hexyn-3 · Hexynol · 1-HEXYN-3-OL · 1-HEXYNE-3-OL · 3-Hydroxyhexyne · 1-Hexyn-3-ol>1-HEXYN-3-OL 95+% · 3-Hydroxy-1-hexyne
Identifikatoren & physikalische Daten
| CAS No. | 105-31-7 |
|---|---|
| Summenformel | C6H10O |
| Durchschnittliche Molmasse | 98,14 g/mol |
| Monoisotopische Masse | 98,07316494 g/mol |
| SMILES | C#CC(O)CCC |
| InChIKey | LTFTWJYRQNTCHI-UHFFFAOYSA-N |
| PubChem CID | 7746 |
| EC No. | 203-286-7 |
| DTXSID | DTXSID4051536 |
| Lokaler Name | Hex-1-in-3-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 77,4 |
| Schmelzpunkt | -80°C |
| Siedepunkt | 118 °C |
| Dichte | 0.873 g/mL at 25 °C |
| Brechungsindex | n20/D 1.431 |
| Flammpunkt | 117 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 13.28±0.20(Predicted) |
| Farbe | Colorless to Light orange to Yellow |
| BRN | 1739419 |
| InChI | InChI=1S/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3 |
| InChIKey | LTFTWJYRQNTCHI-UHFFFAOYSA-N |
| SMILES | C#CC(O)CCC |
| CAS Datenbank | 105-31-7(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Hexyn-3-ol (105-31-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P262, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P354+P338, P316, P317, P321, P330, P361+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Hexyn-3-ol |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2929 6.1/PG 1 |
| Zollcode | 29052900 |
| RTECS-Nr. | MR0181000 |
| R-Sätze (R) | 10-25-27-41 |
| Toxizität | mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00219, |
| Gefahrensymbole | T+ |
| Sicherheitshinweise (S) | 26-28-36/37/39-45 |
| Gefahrenklasse | 3Acute Tox. 3 OralEye Dam. 1Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Hexyn-3-ol may be used in the synthesis of racemic 3-hydroxy-2-hexanone. It may also be used in the preparation of 1,2,3-triazoles.