HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Oct-4-in
oct-4-yne · 4-Octin · 4-OCTYNE · 4-0ctyene · 4-Octyne>4-Actylenes · 4-OCTYNE 99% · Octane-4-yne · 4-Octyne, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 1942-45-6 |
|---|---|
| Summenformel | C8H14 |
| Durchschnittliche Molmasse | 110,2 g/mol |
| Monoisotopische Masse | 110,10955045 g/mol |
| SMILES | CCCC#CCCC |
| InChIKey | GZTNBKQTTZSQNS-UHFFFAOYSA-N |
| PubChem CID | 16029 |
| EC No. | 217-730-2 |
| DTXSID | DTXSID6074338 |
| Lokaler Name | Oct-4-in |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 79 |
| Kovats Retention Index | 841839812.5812.51812.59809.9810.6811813.610009989991011.6 |
| Schmelzpunkt | -103 °C |
| Siedepunkt | 131-132 °C(lit.) |
| Dichte | 0.751 g/mL at 25 °C(lit.) |
| Dampfdruck | 35 mm Hg ( 37.7 °C) |
| Brechungsindex | n20/D 1.425(lit.) |
| Flammpunkt | 85 °F |
| Lagerbedingungen | 0-6°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| Löslichkeit | Sparingly soluble in water( 29.1 mg/L). |
| BRN | 1732138 |
| InChI | 1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3 |
| InChIKey | GZTNBKQTTZSQNS-UHFFFAOYSA-N |
| SMILES | CCCC#CCCC |
| CAS Datenbank | 1942-45-6(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Octyne (1942-45-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (92.6%): Flammable liquid and vapor [Warning Flammable liquids]H304 (98.1%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]H315 (87%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.4-Octyne: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (92.6%)Asp. Tox. 1 (98.1%)Skin Irrit. 2 (87%)Eye Irrit. 2 (88.9%)STOT SE 3 (88.9%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3295 3/PG 3 |
| Zollcode | 29012990 |
| R-Sätze (R) | 10-36/37/38-65 |
Anwendungen & Verwendung
Verwenden
4-Octyne is a useful compound in organic synthesis.