HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Dodecylbenzol
Alkane · ALKYLBENZENE · Benzene, dodecyl- · Alkylate P 1 · LAURYLBENZENE · 1-dodecylbenzene · Marlican · alkylatep1
Identifikatoren & physikalische Daten
| CAS No. | 123-01-3 |
|---|---|
| Summenformel | C18H30 |
| Durchschnittliche Molmasse | 246,4 g/mol |
| Monoisotopische Masse | 246,23475096 g/mol |
| SMILES | CCCCCCCCCCCCc1ccccc1 |
| InChIKey | KWKXNDCHNDYVRT-UHFFFAOYSA-N |
| PubChem CID | 31237 |
| ChEMBL | CHEMBL3187866 |
| EC No. | 204-591-8 |
| DTXSID | DTXSID7026994 |
| Lokaler Name | Dodecylbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 8,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 155 |
| Stoffklassen | Other Classes -> Aromatic Hydrocarbons |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | log Kow= 8.26 |
| Geruch | WEAK OILY ODOR |
| Dichte | 0.86 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8851 @ 20 °C/4 °CRelative density (water = 1): 0.860.856 g/mL at 25 °C (lit.) |
| Color/Form | COLORLESS LIQUID |
| Löslichkeit | less than 1 mg/mL at 77 °F (NTP, 1992)Insoluble in waterSolubility in water: noneAcetonitrile (Slightly), Chloroform (Slightly)Insoluble in water. |
| Flammpunkt | 275 °F (NTP, 1992)285 °F140.6 °C>230 °F |
| Siedepunkt | 627.8 °F at 760 mmHg (NTP, 1992)328 °C290-410 °C185-188 °C/15 mmHg (lit.) 331 °C (lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Schmelzpunkt | 19.4 °F (NTP, 1992)3 °C3 °C (lit.) |
| Dampfdichte | 8.47 (NTP, 1992) - Heavier than airwill sink (Relative to Air)8.47 (AIR= 1) |
| Dampfdruck | 0.1 hPa (50 °C) |
| Brechungsindex | n20/D 1.482(lit.) |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 50(at 25℃) |
| Aggregatzustand | Liquid |
| Farbe | Colourless |
| BRN | 1909107 |
| Henry-Konstante | 7.6×10-5 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable. Incompatible with strong oxidizing agents. Combustible. |
| Hauptanwendungen | environmental |
| InChI | 1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3 |
| InChIKey | KWKXNDCHNDYVRT-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCc1ccccc1 |
| Oberflächenspannung | 30.7mN/m at 20°C |
| CAS Datenbank | 123-01-3(CAS DataBase Reference) |
| EPA chemische Informationen | Dodecylbenzene (123-01-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 46.9% (53 of 113) of reports.WarningH315 (17.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 113 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, dodecyl-Benzene, dodecyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzene, dodecyl-: Human health tier I assessment |
| Brandgefahren | This chemical is combustible. (NTP, 1992) |
| Brandpotenzial | COMBUSTIBLE WHEN EXPOSED TO HEAT OR FLAMECAN REACT WITH OXIDIZING MATERIALS. |
| Gesundheitsgefahren | Liquid causes mild irritation of eyes and may cause allergenic responses on repeated contact with skin. Ingestion causes nausea. (USCG, 1999) |
| Gefahrenübersicht | A skin and eye irritant[ICSC] Linear alkylbenzenes are not acutely toxic. [Reference #1] Oral LDLo (mouse) = 20,000 mg/kgEffects in lethal dose studies include liver changes and EEG changes[RTECS] A mild eye irritant[MSDSonline] |
| Reaktive Gruppe | Hydrocarbons, Aromatic |
| Reactivity Profile | Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as DODECYLBENZENE, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction. |
| Air and Water Reactions | Insoluble in water. |
Anwendungen & Verwendung
Verwenden
n-Dodecylbenzene, is a precursor to sodium dodecylbenzenesulfonate, a surfactant that is a key ingredient of household laundry detergents, such as Tide. It is a widely used cleaner, dyeing assistant in textile industrial, degrease agent in electroplate, leather, de- inking agent in papering, rubber and plastic, break emulsion agent in oil industry, artesian well foaming agent in oil well.
Herstellung & Synthese
synthetische
n-Dodecylbenzene was prepared by lauroyl chloridation, Friedel-Crafts acylation and Huang Minglong deoxidization, followed by purification with vacuum distillation and recrystallization procedures.