HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 3,4-dimethylbenzoate
BUTTPARK 95\04-17 · RARECHEM AL BF 0253 · METHYL 3,4-DIMETHYLBENZOATE · 4-(Methoxycarbonyl)-o-xylene · Methyl 3,4-dimethylbenzoate ,98% · 3,4-DIMETHYLBENZOIC ACID METHYL ESTER · Benzoic acid, 3,4-dimethyl-, methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 38404-42-1 |
|---|---|
| Summenformel | C10H12O2 |
| Durchschnittliche Molmasse | 164,2 g/mol |
| Monoisotopische Masse | 164,08372962 g/mol |
| SMILES | COC(=O)c1ccc(C)c(C)c1 |
| InChIKey | PTSSKYUSCIALKU-UHFFFAOYSA-N |
| PubChem CID | 520902 |
| EC No. | 640-258-7 |
| DTXSID | DTXSID10334489 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 165 |
| Schmelzpunkt | 35-37℃ |
| Siedepunkt | 244.2±9.0 °C(Predicted) |
| Dichte | 1.027±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at room temperature |
| Löslichkeit | Insoluble in water. |
| CAS Datenbank | 38404-42-1(CAS DataBase Reference) |
| NIST chemische Informationen | 3,4-(CH3)3-C6H3-CO2CH3(38404-42-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Zollcode | 2916310090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37 |
Anwendungen & Verwendung
Verwenden
It is used to produce 3,4-Dimethyl-benzyl alcohol.