HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Heptyn-3-ol, (+-)-
1-HEPTYN-3-OL · 1-HEPTYNE-3-OL · 1-Heptyn-3-ol>1-Heptyn-3-ol,98% · 1-HEPTYN-3-OL 98% · 1-Heptyn-3-ol ,97% · (3R)-1-heptyn-3-ol · TIMTEC-BB SBB008795 · N-BUTYL ETHYNYL CARBINOL
Identifikatoren & physikalische Daten
| CAS No. | 7383-19-9 |
|---|---|
| Summenformel | C7H12O |
| Durchschnittliche Molmasse | 112,17 g/mol |
| Monoisotopische Masse | 112,088815 g/mol |
| SMILES | C#CC(O)CCCC |
| InChIKey | SHSFXAVQBIEYMK-UHFFFAOYSA-N |
| PubChem CID | 93050 |
| EC No. | 616-022-4 |
| DTXSID | DTXSID2022250 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 87,8 |
| Schmelzpunkt | -20.62°C (estimate) |
| Siedepunkt | 161-163 °C |
| Dichte | 0.850 g/mL at 25 °C |
| Brechungsindex | n20/D 1.440 |
| Flammpunkt | 138 °F |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 13.28±0.20(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| Löslichkeit | Slightly soluble in water. |
| BRN | 1740804 |
| InChI | InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h2,7-8H,3,5-6H2,1H3 |
| InChIKey | SHSFXAVQBIEYMK-UHFFFAOYSA-N |
| SMILES | C#CC(O)CCCC |
| CAS Datenbank | 7383-19-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29052900 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn,N |
| Sicherheitshinweise (S) | 61 |
| Gefahrenklasse | 3Acute Tox. 4 OralAquatic Chronic 2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Heptyn-3-ol, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used in organic synthesis.