2-Methoxybenzylalkohol
(2-Methoxyphenyl)methanol · (2-methoxy-phenyl)-methanol · o-Anisalcohol · 2-ANISE ALCOHOL · O-ANISE ALCOHOL · 2-ANISIC ALCOHOL · O-ANISYL ALCOHOL · 2-ANISYL ALCOHOL
Identifikatoren & physikalische Daten
| CAS No. | 1331-81-3 |
|---|---|
| Summenformel | C8H10O2 |
| Durchschnittliche Molmasse | 138,16 g/mol |
| Monoisotopische Masse | 138,06807956 g/mol |
| SMILES | COc1ccccc1CO |
| InChIKey | WYLYBQSHRJMURN-UHFFFAOYSA-N |
| PubChem CID | 69154 |
| EC No. | 210-296-5 |
| DTXSID | DTXSID4060606 |
| Lokaler Name | 2-Methoxybenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 93,3 |
| Stoffklassen | Other Classes -> Other Aromatic Compounds |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Duftstoffe | Fragrance Ingredient (Anisyl alcohol (o-,m-,p-)) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 1.13 |
| Dampfdruck | 0.00429 [mmHg]0.572Pa at 25℃ |
| Physical Description | Clear orange to light orange-brown liquid[Acros Organics MSDS] |
| Schmelzpunkt | 85-86 °C |
| Siedepunkt | 248-250 °C(lit.) |
| Dichte | 1.039 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.547(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 14.43±0.10(Predicted) |
| Farbe | Clear colorless to light orange-brown |
| Geruch | anisic |
| Löslichkeit | Not miscible or difficult to mix in water. Soluble in ethanol. |
| BRN | 2043673 |
| InChI | 1S/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3 |
| InChIKey | WYLYBQSHRJMURN-UHFFFAOYSA-N |
| SMILES | COc1ccccc1CO |
| LogP (Verteilungskoeffizient) | 1.13 |
| CAS Datenbank | 612-16-8(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Methoxybenzyl alcohol(612-16-8) |
| EPA chemische Informationen | Benzenemethanol, 2-methoxy- (612-16-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 127 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanol, 2-methoxy-Status: Cease Manufacture Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21644Benzenemethanol, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritantHarmful by ingestion[Acros Organics MSDS] See 2,5-Dimethoxybenzyl alcohol. See Benzyl alcohol. See 1,3-Dimethoxybenzene and Anisole. |
| Hazard Classes and Categories | Acute Tox. 4 (98.3%)Acute Tox. 4 (100%) |
| F | 9-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29094990 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-24/25-37/39-26-36 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.
Herstellung & Synthese
synthetische
Synthesis of 2-Methoxybenzyl Alcohol: Under an inert nitrogen (N₂) atmosphere, after dehydration and deoxygenation, 2-methoxybenzoic acid (76.2 mg, 0.5 mmol) was added to the reaction flask, followed by the addition of liquid borane (290 μL, 2 mmol). The reaction was carried out at room temperature for 12 hours. After completion, the mixture was removed from the glovebox, and trimethoxybenzene (84.23 mg, 0.5 mmol) was added as an internal standard. The mixture was dissolved in CDCl₃, stirred for 10 minutes, and then sampled for nuclear magnetic resonance (NMR) analysis. The yield was calculated to be 99%.