HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Oct-1-in
oct-1-yne · 1-0ctyne · 1-0ctin · 1-OCTYNE · Octyne-1 · 1-Acetyne · caprylidene · 1-Octyne>1-Octyne,99%
Identifikatoren & physikalische Daten
| CAS No. | 32073-03-3 |
|---|---|
| Summenformel | C8H14 |
| Durchschnittliche Molmasse | 110,2 g/mol |
| Monoisotopische Masse | 110,10955045 g/mol |
| SMILES | C#CCCCCCC |
| InChIKey | UMIPWJGWASORKV-UHFFFAOYSA-N |
| PubChem CID | 12370 |
| EC No. | 211-069-3 |
| DTXSID | DTXSID9060863 |
| Lokaler Name | Oct-1-in |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 73,3 |
| Stoffklassen | Other Classes -> Aliphatics, Unsaturated |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 3.92 |
| Dampfdruck | 13.6 [mmHg]37.7 mm Hg ( 37.7 °C) |
| Physical Description | Clear colorless liquid[Aldrich MSDS] |
| Schmelzpunkt | -80 °C (lit.) |
| Siedepunkt | 127-128 °C (lit.) |
| Dichte | 0.747 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.416(lit.) |
| Flammpunkt | 64 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | 0.024g/lMiscible with alcohol, ether and other organic solvents. Immiscible with water. |
| Aggregatzustand | Liquid |
| Wichte | 0.746 |
| Farbe | Clear colorless to yellow |
| Explosionsgrenze | 0.8%(V) |
| BRN | 1734494 |
| Henry-Konstante | 1.2×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) |
| InChI | 1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3 |
| InChIKey | UMIPWJGWASORKV-UHFFFAOYSA-N |
| SMILES | CCCCCCC#C |
| LogP (Verteilungskoeffizient) | 3.717 (est) |
| CAS Datenbank | 629-05-0(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Octyne(629-05-0) |
| EPA chemische Informationen | 1-Octyne (629-05-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-OctyneStatus: Active Update: 26-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/166151-Octyne: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritationMay be fatal by ingestion and inhalationIt is an aspiration hazard by ingestion[Aldrich MSDS] See 4-Nonyne. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3295 3/PG 2 |
| Zollcode | 29012980 |
| RTECS-Nr. | RI2655000 |
| R-Sätze (R) | 11-65-36/37/38 |
| Toxizität | dns-ham:lvr 100 mmol/L CRNGDP 6,1201,85 |
| Gefahrensymbole | F,Xn,Xi |
| Sicherheitshinweise (S) | 16-62-33-26 |
| Gefahrenklasse | 3Asp. Tox. 1Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Octyne is widely used in organic reactions such as halogenation, hydration, oxidative cleavage, hydrogenation, hydrohalogenation, nitrile formation, polymerization and substitution reactions. It is used a precursor for the preparation of monohalogen substituted akenes or dihalogen substituted alkanes on treated with hydrogen halides.