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Propylbenzol
PROPYLBENZENE · Isocomene · Phenylpropane · Propylbenzol · 1-PHENYLPROPANE · Isocumene · 1-Propylbenzene · benzene,propyl-
Identifikatoren & physikalische Daten
| CAS No. | 103-65-1 |
|---|---|
| Summenformel | C9H12 |
| Durchschnittliche Molmasse | 120,19 g/mol |
| Monoisotopische Masse | 120,09390038 g/mol |
| SMILES | CCCc1ccccc1 |
| InChIKey | ODLMAHJVESYWTB-UHFFFAOYSA-N |
| PubChem CID | 7668 |
| ChEMBL | CHEMBL286062 |
| ChEBI | CHEBI:42630 |
| EC No. | 203-132-9 |
| DTXSID | DTXSID3042219 |
| Lokaler Name | Propylbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 60,4 |
| Stoffklassen | Flammable agents - 3rd degreeVolatile Organic Compound (VOC) |
| Solvents | Solvents -> Aromatic Solvents |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | log Kow= 3.693.79 |
| Dichte | 0.862 (USCG, 1999) - Less dense than waterwill floatSpecific gravity: 0.8620 @ 20 °C/4 °C0.8593 @25 °C0.862 g/mL at 25 °C (lit.) |
| Color/Form | Colorless liquid |
| Löslichkeit | Very slightly sol in water (0.06 g/l)sol in alcohol, etherMiscible in ethanol, ethyl ether, and acetoneWater solubility of 23.4 mg/l at 25 °C.0.06g/lMiscible with alcohol, ether, acetone, benzene, and petroleum ether. Slightly miscible with water. |
| Flammpunkt | 118 °F (USCG, 1999)86 °F (closed cup) |
| Siedepunkt | 318.2 °F at 760 mmHg (USCG, 1999)159.2 °C159.24 °C @760 [mm Hg]159 °C (lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Schmelzpunkt | -146.2 °F (USCG, 1999)-99.5 °C-99.6 °C-99 °C (lit.) |
| Dampfdichte | 4.14 (Air= 1)4.14 (vs air) |
| Dampfdruck | 2 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.491(lit.) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | >14 (Schwarzenbach et al., 1993) |
| Farbe | Clear slightly yellow |
| Geruchsschwelle | 0.0038ppm |
| Explosionsgrenze | 0.8-6%(V) |
| Spezifische Wärmekapazität | Cp(liquid): 1.79 J/(g·K), at 25℃ |
| Merck | 14,7844 |
| BRN | 1903006 |
| Henry-Konstante | 4.35, 6.21, 8.37, 11.6, and 15.3 at 10, 15, 20, 25, and 30 °C, respectively (headspace-GC, Perlinger et al., 1993) |
| Dielektrizitätskonstante | 2.4(20℃) |
| Stabilität | Stable. Flammable. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | environmental |
| Kosmetik-Inhaltsstoffe Funktionen | SOLVENT |
| InChI | 1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 |
| InChIKey | ODLMAHJVESYWTB-UHFFFAOYSA-N |
| SMILES | CCCc1ccccc1 |
| LogP (Verteilungskoeffizient) | 3.690 |
| Oberflächenspannung | 28.99mN/m at 20°C |
| CAS Datenbank | 103-65-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, propyl-(103-65-1) |
| EPA chemische Informationen | n-Propylbenzene (103-65-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P301+P316, P303+P361+P353, P304+P340, P319, P331, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1188) of reports.H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, propyl-Hazard Traits - Nephrotoxicity and Other Toxicity to the Urinary SystemBenzene, propyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, propyl- 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)Propylbenzene: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flashback. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| Brandpotenzial | Flammable, moderate fire risk.A very dangerous fire hazard when exposed to heat, flame, or oxidizers ... |
| Gesundheitsgefahren | May be harmful by inhalation, ingestion, or skin absorption. May cause eye and skin irritation. (USCG, 1999)CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. |
| Gefahrenübersicht | In animal studies, it acts as a CNS depressant and general anesthetic. [HSDB] If left on clothes, can cause reddening of skin[CHRIS]The major hazards encountered in the use and handling of n-propylbenzene stem from its toxicologic properties and flammability. Toxic by all routes (ie, inhalation, ingestion, dermal contact), exposure to this colorless liquid may occur from its use in textile dyeing and printing, as a solvent for cellulose acetate, and in the manufacture of methylstyrene. Effects from exposure may include burns to the skin and eyes, nausea, headache, dizziness, central nervous system depression, and unconsciousness. In activities and situations where over-exposure may occur, wear a positive pressure self-contained breathing apparatus and protective clothing. If contact should occur, immediately irrigate exposed eyes with copious amounts of tepid water for at least 15 minutes, and wash exposed skin thoroughly with soap and water. Contaminated clothing should be removed and left at the site. This substance is flammable and may be ignited by heat, sparks, or flames. Its heavier-than-air vapor may travel to a source of ignition and flash back, or accumulate to explosive concentrations in enclosed spaces, such as sewers. Also, containers of n-propylbenzene may explode in the heat of a fire. For fires involving this substance, extinguish with dry chemical, CO2, water spray, fog, or alcohol-resistant foam. Isolate for 1/2 mile in all directions if tank, rail car or tank truck is involved in the fire. For small spills of n-propylbenzene, take up with sand or other noncombustible absorbent, and place into container for later disposal. Dike far ahead of large spills to contain for later disposal. |
Anwendungen & Verwendung
Verwenden
n-Propylbenzene is used to prepare benzoic acid. It is employed as a solvent for gas chromatography. It is also used as a solvent and an intermediate in organic synthesis. Further, it is used in fuels and fuel additives.