HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Oct-1-en
OCT-1-ENE · OCTENE-1 · Neodene 8 · Octene-1 (99% · Octen · OCTEN-1 · Octylene · n-Octen-1
Identifikatoren & physikalische Daten
| CAS No. | 111-66-0 |
|---|---|
| Summenformel | C8H16 |
| Durchschnittliche Molmasse | 112,21 g/mol |
| Monoisotopische Masse | 112,12520051 g/mol |
| SMILES | C=CCCCCCC |
| InChIKey | KWKAKUADMBZCLK-UHFFFAOYSA-N |
| PubChem CID | 8125 |
| ChEMBL | CHEMBL1376677 |
| ChEBI | CHEBI:46708 |
| EC No. | 203-893-7 |
| DTXSID | DTXSID6025804 |
| Lokaler Name | Oct-1-en |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 46 |
| LogP (Verteilungskoeffizient) | log Kow= 4.573.5/4.6 |
| Dichte | 0.715 at 68 °F (USCG, 1999) - Less dense than waterwill float0.7149 @ 20 °C/4 °CDensity: 0.7149 /1-Octene/0.7199 g/cu cm @ 20 °C /2-Octene (E)/0.7243 g/cu cm @ 20 °C /2-Octene (Z)/0.7152 g/cu cm @ 20 °C /3-Octene (E)/0.7159 g/cu cm @ 20 °C /3-Octene (Z)/0.7141 g/cu cm @ 20 °C /4-Octene (E)/0.7212 g/cu cm @ 20 °C /4-Octene (Z)/Relative density (water = 1): 0.70.718-0.7220.71 @25 °C0.715 g/mL at 25 °C (lit.) |
| Viscosity | 0.656 cSt at 20 °C |
| Color/Form | Colorless liquid |
| Löslichkeit | Miscible with ethanol, etherMiscible in ethanolsoluble in ethyl ether and acetoneIn water, 4.1 mg/l @ 25 °C0.0041 mg/mL at 25 °CSolubility in water, g/100ml at 25 °C: 0.0004Practically insoluble to insolubleSoluble in acetone, benzene, and chloroform (Weast, 1986). Miscible with alcohol, ether (Windholz et al., 1983), and many aliphatic hydrocarbons.Miscible with water, ether, alcohol and acetone. |
| Flammpunkt | 70 °F (USCG, 1999)10 °C70 °F (21 °C) (OPEN CUP)10 °C c.c. |
| Siedepunkt | 250.3 °F at 760 mmHg (USCG, 1999)121.2 °C @ 760 mm HgBoiling point: 121.2 °C /1-Octene/125 °C /2-Octene (E)/125.6 °C /2-Octene (Z)/123.3 °C /3-Octene (E)/122.9 °C /3-Octene (Z)/ 122.3 °C /4-Octene (E)/122.5 °C /4-Octene (Z)/123 °C121 -122 °C121.2 °C @760 [mm Hg]122-123 °C (lit.) |
| Schmelzpunkt | -151 °F (USCG, 1999)-101.7 °CMelting point: -101.7 °C /1-Octene/-87.7 °C /2-Octene (E)/-100.2 °C /2-Octene (Z)/-110 °C /3-Octene (E)/-126 °C /3-Octene (Z)/-93.8 °C /4-Octene (E)/-118.7 °C /4-Octene (Z)/-102 °C-101 °C (lit.) |
| Dampfdichte | 3.87 (AIR= 1)Relative vapor density (air = 1): 3.93.9 (vs air) |
| Geruchsschwelle | Odor Threshold Low: 0.0005 [ppm][ICSC] Odor threshold (detection) from CHEMINFO0.001ppm |
| Dampfdruck | 17.4 [mmHg]2.03 [mmHg]17.4 mm Hg @ 25 °CVapor pressure, kPa at 20 °C: 217.4 [mm Hg] @25 °C36 mm Hg ( 38 °C) |
| Brechungsindex | Index of refraction: 1.4062 @ 25 °CIndex of refraction: 1.4087 20 °C /1-Octene/1.4132 20 °C /2-Octene (E)/1.4150 20 °C /2-Octene (Z)/1.4126 20 °C /3-Octene (E)/1.4135 20 °C /3-Octene (Z)/1.4114 20 °C /4-Octene (E)/1.4148 20 °C /4-Octene (Z)/1.413-1.416n20/D 1.408(lit.) |
| FEMA | 4293 | 1-OCTENE |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | >14 (Schwarzenbach et al., 1993) |
| Aggregatzustand | Liquid |
| Farbe | Clear |
| Wichte | 0.714 |
| Geruch | gasoline |
| Biologische Quelle | synthetic |
| Explosionsgrenze | 0.7-6.8%(V) |
| Spezifische Wärmekapazität | Cp(liquid): 2.15 J/(g·K), at 25℃ |
| JECFA Number | 2191 |
| Merck | 14,1764 |
| BRN | 1734497 |
| Henry-Konstante | 0.952 at 25 °C (Hine and Mookerjee, 1975) |
| Dielektrizitätskonstante | 2.1(20℃) |
| Stabilität | Stable. Highly flammable. Incompatible with strong oxidizing agents, acids. |
| Hauptanwendungen | cleaning productscosmeticsenvironmentalflavors and fragrancesfood and beveragespersonal carepetroleum |
| Kosmetik-Inhaltsstoffe Funktionen | SOLVENT |
| InChI | 1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3 |
| InChIKey | KWKAKUADMBZCLK-UHFFFAOYSA-N |
| SMILES | CCCCCCC=C |
| LogP (Verteilungskoeffizient) | 4.47 at 20℃ |
| CAS Datenbank | 111-66-0(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Octene (111-66-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 5.1% (102 of 2014) of reports.DangerH225 (94.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]H304 (94.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]H315 (17.7%): Causes skin irritation [Warning Skin corrosion/irritation]H411 (17.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P240, P241, P242, P243, P264, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2014 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 102 of 2014 reports by companies.There are 22 notifications provided by 1912 of 2014 reports by companies with hazard statement code(s).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 | Chemical: 1-OcteneCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Octene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octene are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Octene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octene are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 04-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15355Status: Active Update: 06-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32465Status: Active Update: 13-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12223 |
Anwendungen & Verwendung
Verwenden
1-Octene acts as a comonomer used in the preparation of polyethylene, especially high-density polyethylene (HDPE) and linear low-density polyethylene(LLDPE) resins. It is also used in organic synthesis, surfactants and plasticizers. Further, it is used in process regulators and viscosity adjustors. In addition to this, it is used in the preparation of linear aldehyde through the oxo synthesis (hydroformylation) to get the nonanal.