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Hexadecan
HEXADECANE · N-HEXADECANE · Hexadecan · n-Cetane · Hexadecane ,98.50% · n-Hexadecane, δ13C: - 33.71 · n-Hexadecane, anhydrous, AcroSeal, 99% · Bioctyl
Identifikatoren & physikalische Daten
| CAS No. | 544-76-3 |
|---|---|
| Summenformel | C16H34 |
| Durchschnittliche Molmasse | 226,44 g/mol |
| Monoisotopische Masse | 226,26605109 g/mol |
| SMILES | CCCCCCCCCCCCCCCC |
| InChIKey | DCAYPVUWAIABOU-UHFFFAOYSA-N |
| PubChem CID | 11006 |
| ChEMBL | CHEMBL134994 |
| ChEBI | CHEBI:45296 |
| EC No. | 208-878-9 |
| DTXSID | DTXSID0027195 |
| Lokaler Name | Hexadecan |
Chemische & physikalische Eigenschaften
| XLogP | 8,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 13 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 92,6 |
| Stoffklassen | Other Classes -> Aliphatics, Saturated (>C11)n-Alkane |
| Lipide | Fatty Acyls [FA] -> Hydrocarbons [FA11] |
| SpringerMaterials Properties | Gibbs energy |
| Duftstoffe | Fragrance Ingredient (Hexadecane) -> IFRA transparency List |
| Geruch | Odorless (without any specific odor) |
| Dichte | 0.77331 at 68 °F (NTP, 1992) - Less dense than waterwill float0.7701 g/cu cm at 25 °C0.77335 @25 °C0.773 g/mL at 25 °C(lit.) |
| Viscosity | 3.474 mPa s at 20 °C |
| Color/Form | Colorless liquidLeaflets from acetone |
| Löslichkeit | In water, 2.1X10-5 mg/L at 25 °CSolubility sea water: 0.00004 mg/L at 25 °CInsoluble in waterslightly soluble in ethanolsoluble/miscible in ether, carbon tetrachloride9e-07 mg/mL at 25 °CSoluble in alcohol, acetone, ether.This product is soluble in acetone, alcohol, ether. It is insoluble in water.Soluble in alcohol, acetone, chloroform, and ether. insoluble in water |
| Flammpunkt | 275 °F (NTP, 1992)Flash point equals 275 °F>212 °F (>100 °C)135 °C (275 °F) - closed cup |
| Siedepunkt | 549 °F at 760 mmHg (NTP, 1992)boiling point equals 549 °F286.9 °C286.00 to 287.00 °C. @ 760.00 mm Hg286.5 °C @760 [mm Hg]287 °C(lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating vapors. |
| Schmelzpunkt | 18 °C(lit.) |
| Dampfdichte | 7.8 (vs air) |
| Dampfdruck | 1 mm Hg ( 105.3 °C) |
| Brechungsindex | n20/D 1.434(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| Wichte | 0.775 (25/4℃) |
| Farbe | Colorless |
| Spezifische Wärmekapazität | Cp(liquid): 2.22 J/(g·K), at 25℃ |
| BRN | 1736592 |
| Henry-Konstante | 2.1×10-5 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Stabilität | Stable. Substances to be avoided include strong oxidizing agents. Combustible. Hygroscopic. |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING - EMOLLIENT |
| InChI | 1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 |
| InChIKey | DCAYPVUWAIABOU-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCC |
| LogP (Verteilungskoeffizient) | 8.2 at 25℃ |
| Oberflächenspannung | 27.57mN/m at 293.15K |
| CAS Datenbank | 544-76-3(CAS DataBase Reference) |
| EPA chemische Informationen | Hexadecane (544-76-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.1% (2 of 1815) of reports.DangerH304 (96.9%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]P301+P316, P331, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1815 reports by companies from 13 notifications to the ECHA C&L Inventory.Warning |
|---|---|
| Regulatorische Informationen | Chemical: HexadecaneHexadecane is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexadecane 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: 17-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12643Hexadecane: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Hexadecane: Human health tier I assessment |
| Brandgefahren | Combustible. (NTP, 1992) |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: Flammable. (NTP, 1992) |
| Gefahrenübersicht | A skin irritantMay cause narcosis after prolonged exposure[MSDSonline] |
| Reaktive Gruppe | Hydrocarbons, Aliphatic Saturated |
| Reactivity Profile | Saturated aliphatic hydrocarbons, such as N-HEXADECANE, may be incompatible with strong oxidizing agents like nitric acid. Charring of the hydrocarbon may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, aliphatic saturated hydrocarbons are mostly unreactive. They are not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents. When heated sufficiently or when ignited in the presence of air, oxygen or strong oxidizing agents, they burn exothermically to produce carbon dioxide and water. |
| Air and Water Reactions |
Anwendungen & Verwendung
Beschreibung
Hexadecane (also known as n-hexadecane) can be used as a phase-change material (PCM) for thermal energy storage. PCM-16 macromolecular capsules prepared from hexadecane hold potential for application in thermal packaging, construction and protective clothing. Their basic physical properties are as follows[1]:
Verwenden
Hexadecane is a component of gasoline, and is used as a solvent, organic intermediate, ignition standard for diesel fuels, and as stock for hydrocracking processes.