HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methylbenzylalkohol
o-Tolylmethanol · O-TOLYLCARBINOL · 2-Tolylmethanol · 2-TOLYL CARBINOL · α-Hydroxy-o-xylene · RARECHEM AL BD 0047 · ALPHA-HYDROXY-O-XYLENE · 2-METHYLBENZYL ALCOHOL
Identifikatoren & physikalische Daten
| CAS No. | 89-95-2 |
|---|---|
| Summenformel | C8H10O |
| Durchschnittliche Molmasse | 122,16 g/mol |
| Monoisotopische Masse | 122,07316494 g/mol |
| SMILES | Cc1ccccc1CO |
| InChIKey | XPNGNIFUDRPBFJ-UHFFFAOYSA-N |
| PubChem CID | 6994 |
| ChEBI | CHEBI:27724 |
| EC No. | 201-954-2 |
| DTXSID | DTXSID8059001 |
| Lokaler Name | 2-Methylbenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 80,6 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.58 |
| Physical Description | White solidmp = 33-37 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 33-36 °C(lit.) |
| Siedepunkt | 109-110 °C14 mm Hg(lit.) |
| Dichte | 1.0230 |
| Dampfdruck | 0.75 mm Hg ( 86 °C) |
| Brechungsindex | n20/D 1.5408(lit.) |
| Flammpunkt | 220 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | methanol: 0.1 g/mL, clear |
| pKa (Säurekonstante) | 14.37±0.10(Predicted) |
| Aggregatzustand | powder to lump |
| Farbe | White to Almost white |
| BRN | 1929783 |
| Henry-Konstante | 2.2×101 mol/(m3Pa) at 25℃, Wang et al. (2017) |
| InChI | 1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3 |
| InChIKey | XPNGNIFUDRPBFJ-UHFFFAOYSA-N |
| SMILES | Cc1ccccc1CO |
| LogP (Verteilungskoeffizient) | 1.620 |
| CAS Datenbank | 89-95-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanol, 2-methyl-(89-95-2) |
| EPA chemische Informationen | 2-Methylbenzyl alcohol (89-95-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanol, 2-methyl-Benzenemethanol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Benzyl alcohol. |
| Hazard Classes and Categories | Acute Tox. 4 (90.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339990 |
| R-Sätze (R) | 36/37/38-41-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 22-24/25-37/39-26-39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Methylbenzyl alcohol is widely used strong mobile phase additive in HPLC. it can be used to produce 2-methyl-benzaldehyde at temperature of 20°C. It will need reagent pyridinium chlorochromate with reaction time of 10 min.