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Methyl-m-toluat
METHYL M-TOLUATE · METHYL 3-TOLUATE · RARECHEM AL BF 0073 · Methylm-toluate,98% · Methyl 3-methylbenzo · Methyl m-toluate,99% · Methyl-m-Toluate 99% · 3-METHYL METHYLBENZOATE
Identifikatoren & physikalische Daten
| CAS No. | 99-36-5 |
|---|---|
| Summenformel | C9H10O2 |
| Durchschnittliche Molmasse | 150,17 g/mol |
| Monoisotopische Masse | 150,06807956 g/mol |
| SMILES | COC(=O)c1cccc(C)c1 |
| InChIKey | CPXCDEMFNPKOEF-UHFFFAOYSA-N |
| PubChem CID | 7435 |
| EC No. | 202-753-2 |
| DTXSID | DTXSID2059196 |
| Lokaler Name | Methyl-m-toluat |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 142 |
| Stoffklassen | Other Classes -> Esters, Other |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 2.77 |
| Dampfdruck | 0.16 [mmHg] |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Siedepunkt | 113 °C27 mm Hg(lit.) |
| Dichte | 1.063 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.516(lit.) |
| Flammpunkt | 95 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Insoluble in water. |
| BRN | 2043574 |
| LogP (Verteilungskoeffizient) | 2.770 |
| CAS Datenbank | 99-36-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzoic acid, 3-methyl-, methyl ester(99-36-5) |
| EPA chemische Informationen | Benzoic acid, 3-methyl-, methyl ester (99-36-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.3% (2 of 47) of reports.WarningH302 (85.1%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 08-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21504 |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (85.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163990 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-36 |
Anwendungen & Verwendung
Verwenden
Methyl3-methylcyclohexanecarboxylate was prepared by hydrogenation of methyl m-toluate in acetic acid solvent over Adams catalyst. analysis for valproic acid (VA) in serum, for which we use a gas chromatograph equipped with a flame ionization detector, with methyl-m-toluate (MMT) as internal standard.