HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
tert-Pentylbenzol
TERT-PENTYLBENZENE · Benzene, (1,1-dimethylpropyl)- · T-AMYLBENZENE · tert-Pentylben · T-PENTYLBENZENE · TERT-AMYLBENZENE · tert-pentyl-benzen · Benzene,tert-penty
Identifikatoren & physikalische Daten
| CAS No. | 2049-95-8 |
|---|---|
| Summenformel | C11H16 |
| Durchschnittliche Molmasse | 148,24 g/mol |
| Monoisotopische Masse | 148,12520051 g/mol |
| SMILES | CCC(C)(C)c1ccccc1 |
| InChIKey | QHTJSSMHBLGUHV-UHFFFAOYSA-N |
| PubChem CID | 16295 |
| ChEMBL | CHEMBL1797417 |
| EC No. | 218-076-0 |
| DTXSID | DTXSID7051848 |
| Lokaler Name | tert-Pentylbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 4,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 107 |
| Solvents | Solvents -> Aromatic Solvents |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | -44.72°C (estimate) |
| Siedepunkt | 188-191°C |
| Dichte | 0,87 g/cm3 |
| Brechungsindex | 1.4960 |
| Flammpunkt | 65°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | liquid |
| Farbe | Colorless to Light yellow |
| Löslichkeit | 10.5mg/L(25 ºC) |
| BRN | 2039053 |
| Henry-Konstante | 5.4×10-4 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975) |
| Hauptanwendungen | battery manufacturing |
| InChI | InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3 |
| InChIKey | QHTJSSMHBLGUHV-UHFFFAOYSA-N |
| SMILES | C1(C(C)(C)CC)=CC=CC=C1 |
| CAS Datenbank | 2049-95-8(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Phenyl-2-methyl butane(2049-95-8) |
| EPA chemische Informationen | tert-Amylbenzene (2049-95-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH221 (10%): Flammable gas [Danger Flammable gases]P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P272, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P377, P381, P391, P403, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 26-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10564 |
| Gefahrenübersicht | Causes acute pulmonary edema, hemorrhage, and focal fibrosis in oral lethal-dose studies of ratsOral LD50 (rat) = 5 mL/kg[RTECS] n-Amylbenzene and sec-amylbenzene can cause narcosis at high concentrations[Hawley] May cause irritation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN1993 - class 3 - PG 3 - EHS - Flammable liquids, n.o.s., HI: all |
| Zollcode | 29029090 |
| RTECS-Nr. | DA6720000 |
| Toxizität | LDLo orl-rat: 10 mL/kg AMIHAB 19,403,59 |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | 3Aquatic Chronic 2Flam. Liq. 3Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
The presence of electrolyte additives enhances the performance of lithium ion batteries by improving their thermal stability and ionic conductivity. Additives also reduce the flammability of electrolytes and provide overcharge protection. t-Amyl benzene finds application as additive in lithium ion batteries and its addition in grade would be good expansion of our LIB portfolio.