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Cycloocta-1,5-dien
COD · Cycloocta-1,5-diene · 1,5-COD · CIS,CIS-1,5-CYCLOOCTADIENE · 1,5-CycL · ooctadiene · 1,5-CYCLOOCTADIENE · 1.5-cyclooctandiene
Identifikatoren & physikalische Daten
| CAS No. | 111-78-4 |
|---|---|
| Summenformel | C8H12 |
| Durchschnittliche Molmasse | 108,18 g/mol |
| Monoisotopische Masse | 108,09390038 g/mol |
| SMILES | C1=CCCC=CCC1 |
| InChIKey | VYXHVRARDIDEHS-UHFFFAOYSA-N |
| PubChem CID | 8135 |
| EC No. | 216-291-4 |
| DTXSID | DTXSID0026888 |
| Lokaler Name | Cycloocta-1,5-dien |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 72,6 |
| Schmelzpunkt | -69 °C (lit.) |
| Siedepunkt | 149-150 °C (lit.) |
| Dichte | 0.882 g/mL at 25 °C (lit.) |
| Dampfdruck | 25.8 mm Hg ( 37.7 °C) |
| Brechungsindex | n20/D 1.493 |
| Flammpunkt | 89 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Chloroform780 mg/L (20 ºC) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Geruchsschwelle | 0.00084ppm |
| BRN | 2036542 |
| Henry-Konstante | 3.8×10-4 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| Stabilität | Stable. Flammable. |
| InChI | 1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7- |
| InChIKey | VYXHVRARDIDEHS-QGTKBVGQSA-N |
| SMILES | C1CC=CCCC=C1 |
| LogP (Verteilungskoeffizient) | 3.16 at 20℃ |
| CAS Datenbank | 111-78-4(CAS DataBase Reference) |
| NIST chemische Informationen | 1,5-Cyclooctadiene(111-78-4) |
| EPA chemische Informationen | 1,5-Cyclooctadiene (111-78-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P301+P316, P301+P317, P303+P361+P353, P304+P340, P317, P330, P331, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 59 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%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2520 3/PG 3 |
| Zollcode | 29021990 |
| RTECS-Nr. | GX9620000 |
| R-Sätze (R) | 10-36/38-42/43-65-50/53-22-43-19-20/22-52/53-36/37/38 |
| Gefahrensymbole | Xn,N,Xi |
| Sicherheitshinweise (S) | 26-36-61-60-16-37/39 |
| Gefahrenklasse | 3.2Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 111-78-4(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 431 °F |
Anwendungen & Verwendung
Verwenden
Cycloocta-1,5-diene is produced from petroleum distillation fractions and is used as an intermediate in the plastics industry, as a synthetic lubricant, and in numerous other applications.