HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-p-toluat
ETHYL P-TOLUATE · 94-08-6- · PTE-ESTER · Ethyl-p-toluat · ETHYL 4-TOLUATE · ETHYL-PARA-TOLUATE · RARECHEM AL BI 0113 · Ethyl p-Toluate >Ethyl 4-methylbenzoa
Identifikatoren & physikalische Daten
| CAS No. | 94-08-6 |
|---|---|
| Summenformel | C10H12O2 |
| Durchschnittliche Molmasse | 164,2 g/mol |
| Monoisotopische Masse | 164,08372962 g/mol |
| SMILES | CCOC(=O)c1ccc(C)cc1 |
| InChIKey | NWPWRAWAUYIELB-UHFFFAOYSA-N |
| PubChem CID | 66743 |
| ChEMBL | CHEMBL3186464 |
| EC No. | 202-301-4 |
| DTXSID | DTXSID5048211 |
| Lokaler Name | Ethyl-p-toluat |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 146 |
| Stoffklassen | Other Classes -> Esters, Other |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Physical Description | Clear liquid[Acros Organics MSDS] |
| Schmelzpunkt | 131 °C |
| Siedepunkt | 235 °C(lit.) |
| Dichte | 1.025 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.508(lit.) |
| Flammpunkt | 211 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.03 |
| Farbe | Clear colorless to pale yellow |
| Merck | 14,3840 |
| BRN | 1863756 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| InChIKey | NWPWRAWAUYIELB-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1ccc(C)cc1 |
| LogP (Verteilungskoeffizient) | 3.151 (est) |
| CAS Datenbank | 94-08-6(CAS DataBase Reference) |
| NIST chemische Informationen | Ethyl 4-methylbenzoate(94-08-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzoic acid, 4-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritant[Acros Organics MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Ethyl 4-methylbenzoate was used in the synthesis of ethyl 4-(bromomethyl)benzoate.