Identifikatoren & physikalische Daten
| CAS No. | 25567-11-7 |
|---|
| Summenformel | C9H10O2 |
|---|
| Durchschnittliche Molmasse | 150,17 g/mol |
|---|
| Monoisotopische Masse | 150,06807956 g/mol |
|---|
| SMILES | COC(=O)c1ccccc1C |
|---|
| InChIKey | WVWZECQNFWFVFW-UHFFFAOYSA-N |
|---|
| PubChem CID | 33094 |
|---|
| ChEMBL | CHEMBL3184142 |
|---|
| EC No. | 201-932-2 |
|---|
| DTXSID | DTXSID6048208 |
|---|
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 | Schoenflies notation |
|---|
| Duftstoffe | Fragrance Ingredient (Benzoic acid, 2-methyl-, methyl ester) -> IFRA transparency List |
|---|
| LogP (Verteilungskoeffizient) | 2.75 |
|---|
| Dampfdruck | 0.16 [mmHg] |
|---|
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
|---|
| EPA chemische Informationen | Methyl toluate (25567-11-7) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 56.9% (78 of 137) of all reports.WarningH315 (43.1%): 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 137 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Regulatorische Informationen | Chemical: Benzoic acid, 2-methyl-, methyl esterStatus: Active Update: 16-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20425 |
|---|
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (43.1%) |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
