HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-tert-Butyl-m-xylol
5-TERT-BUTYL-M-XYLENE · 4-tert-Butyl-2,6-dimethylbenzene · 1-(1,1-Dimethylethyl)-3,5-dimethylbenzene · Lowinox TBMX · 5-butyl-xylene · Butyl-m-xylene · t-Butyl-m-xylene · tert-Butyl-m-xylene
Identifikatoren & physikalische Daten
| CAS No. | 98-19-1 |
|---|---|
| Summenformel | C12H18 |
| Durchschnittliche Molmasse | 162,27 g/mol |
| Monoisotopische Masse | 162,14085057 g/mol |
| SMILES | Cc1cc(C)cc(C(C)(C)C)c1 |
| InChIKey | FZSPYHREEHYLCB-UHFFFAOYSA-N |
| PubChem CID | 7378 |
| EC No. | 202-647-6 |
| DTXSID | DTXSID2052659 |
| Lokaler Name | 5-tert-Butyl-m-xylol |
Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 131 |
| Kovats Retention Index | 1163.611641165.21169.6115211511146.85116011401391.41430.81385 |
| Schmelzpunkt | -18 °C |
| Siedepunkt | 205-206 °C(lit.) |
| Dichte | 0.867 g/mL at 25 °C(lit.) |
| Dampfdruck | 0.4 hPa (20 °C) |
| Brechungsindex | n20/D 1.495(lit.) |
| Flammpunkt | 162 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| pH | 7 (H2O, 20℃) |
| BRN | 1853314 |
| Henry-Konstante | 5.8×10-4 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3 |
| InChIKey | FZSPYHREEHYLCB-UHFFFAOYSA-N |
| SMILES | C1(C(C)(C)C)=CC(C)=CC(C)=C1 |
| CAS Datenbank | 98-19-1(CAS DataBase Reference) |
| EPA chemische Informationen | 5-tert-Butyl-m-xylene (98-19-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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: Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-Status: Active Update: 23-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/235471,3-Dimethyl-5-tert-butylbenzene: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (95.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2902 90 00 |
| RTECS-Nr. | ZE3900000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Selbstentzündungstemperatur | 560 °C DIN 51794 |
Anwendungen & Verwendung
Verwenden
1-tert-Butyl-3,5-dimethylbenzene has been used in the synthesis of bulky, multi-alkylated diaryl disulfides such as bis(4-tert-butyl-2,6-dimethylphenyl) disulfide and bis(2,4,6-triisopropylphenyl) disulfide.