HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hex-3-yn-1-ol
hex-3-yn-1-ol · 3-Hexynol · 3-HEXYN-1-OL · 3-Hexyne-1-ol · 3-Hexyn-1-ol>3-Hexyn-1-ol 98% · 3-Hexyn-1-ol, 98 % · 3-Hexyn-1-ol, 98% 5ML · 3-HEXYN-1-OL, 98%3-HEXYN-1-OL, 98%3-HEXYN-1-OL, 98%
Identifikatoren & physikalische Daten
| CAS No. | 1002-28-4 |
|---|---|
| Summenformel | C6H10O |
| Durchschnittliche Molmasse | 98,14 g/mol |
| Monoisotopische Masse | 98,07316494 g/mol |
| SMILES | CCC#CCCO |
| InChIKey | ODEHKVYXWLXRRR-UHFFFAOYSA-N |
| PubChem CID | 66083 |
| EC No. | 213-685-8 |
| DTXSID | DTXSID4061385 |
| Lokaler Name | Hex-3-yn-1-ol |
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 | 82,8 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | -34°C (estimate) |
| Siedepunkt | 63-64 °C12 mm Hg(lit.) |
| Dichte | 0.898 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.454(lit.) |
| Flammpunkt | 146 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.35±0.10(Predicted) |
| Farbe | Colorless to Light yellow to Light orange |
| Wichte | 0.898 |
| BRN | 1735911 |
| InChI | InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H3 |
| InChIKey | ODEHKVYXWLXRRR-UHFFFAOYSA-N |
| SMILES | C(O)CC#CCC |
| CAS Datenbank | 1002-28-4(CAS DataBase Reference) |
| EPA chemische Informationen | 3-Hexyn-1-ol (1002-28-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 3-Hexyn-1-ol |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29052990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Hexyn-1-ol is an unsaturated alcohol that, when subjected to stereoselective hydrogenation, produces cis-3-Hexen-1-ol (H295005), a compound that is important in the fragrance industry. 3-Hexyn-1-ol also exhibits antifungal properties against Aspergillus oryzae, a fungus that is used to produce fermented foods and beverages in Japan.