2-p-Tolylethanol
2-(P-TOLYL)ETHANOL · 4-Methylbenzeneethanol · tridecyl sulfate · 4-Methylphenethanol · 2-(p-Tolyl)ethanol>P-Methylphenylethanol · 4-methyl-benzeneethano · 4-methyl-Benzeneethanol · 2-(p-Methylphenyl)ethanol
Identifikatoren & physikalische Daten
| CAS No. | 699-02-5 |
|---|---|
| Summenformel | C9H12O |
| Durchschnittliche Molmasse | 136,19 g/mol |
| Monoisotopische Masse | 136,088815 g/mol |
| SMILES | Cc1ccc(CCO)cc1 |
| InChIKey | DAVFJRVIVZOKKS-UHFFFAOYSA-N |
| PubChem CID | 95294 |
| EC No. | 211-824-7 |
| DTXSID | DTXSID6061020 |
| Lokaler Name | 2-p-Tolylethanol |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 82,7 |
| Duftstoffe | Fragrance Ingredient (2-p-Tolylethanol) -> IFRA transparency List |
| Siedepunkt | 244-245 °C(lit.) |
| Dichte | 0.978 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.526(lit.) |
| Flammpunkt | 225 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.92±0.10(Predicted) |
| Wichte | 0.978 |
| Farbe | Colorless to Light yellow to Light orange |
| Geruch | at 100.00 %. floral balsamic rose green |
| Geruchsart | floral |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | InChI=1S/C9H12O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,6-7H2,1H3 |
| InChIKey | DAVFJRVIVZOKKS-UHFFFAOYSA-N |
| SMILES | C1(CCO)=CC=C(C)C=C1 |
| LogP (Verteilungskoeffizient) | 2.032 (est) |
| CAS Datenbank | 699-02-5(CAS DataBase Reference) |
| EPA chemische Informationen | Benzeneethanol, 4-methyl- (699-02-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.Not ClassifiedAggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzeneethanol, 4-methyl- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29062990 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
2-(4-Methylphenyl)ethanol, also known as 4-Methylphenethyl alcohol, 2-(p-Tolyl)ethanol, is an oily liquid that can promote bile secretion and protect the liver. It is capable of transporting fat from the liver to the extrahepatic fat pool via the bloodstream and has demonstrated a significant inhibitory effect on liver cell destruction caused by alcoholism.
Verwenden
4-Methylphenethyl alcohol was used in the determination of adducts of 1,2- and 1,4-benzoquinone with cysteine residues of hemoglobin and albumin.
Herstellung & Synthese
synthetische
To prepare 2-(4-Methylphenyl)ethanol, start with 4'-Methylacetophenone as the raw material. Reduce it to 4-methyl-α-phenylethanol using sodium borohydride in ethanol. Mix nicotinic acid with phosphorus oxychloride in pyridine to create nicotinyl chloride. Without separation, add the nicotinyl chloride to the 4-methyl-α-phenylethanol and esterify it into 2-(4-Methylphenyl)ethanol.