HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Phenyl-2-butanol
4-Phenylbutan-2-ol · FEMA 2879 · 1-Phenethylethanol · Phenylbutanol · AURORA KA-6974 · 4-PHENYL-2-BUTANOL · 1-Phenyl-3-butanol · 4-phenyl-2-butylol
Identifikatoren & physikalische Daten
| CAS No. | 2344-70-9 |
|---|---|
| Summenformel | C10H14O |
| Durchschnittliche Molmasse | 150,22 g/mol |
| Monoisotopische Masse | 150,10446507 g/mol |
| SMILES | CC(O)CCc1ccccc1 |
| InChIKey | GDWRKZLROIFUML-UHFFFAOYSA-N |
| PubChem CID | 61302 |
| ChEMBL | CHEMBL5589991 |
| ChEBI | CHEBI:195902 |
| EC No. | 219-055-9 |
| DTXSID | DTXSID60862904 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 95 |
| Dichte | 0.977-0.9830.970 g/mL at 25 °C (lit.) |
| Löslichkeit | insoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol)Almost insoluble in water, soluble in alcohol and oils |
| Siedepunkt | 123.00 to 124.00 °C. @ 15.00 mm Hg229 °C132 °C/14 mmHg (lit.) |
| Brechungsindex | 1.514-1.518n20/D 1.5140(lit.) |
| Physical Description | colourless oily liquid with a floral-fruity, herbaceous odour |
| Kovats Retention Index | 12412029 |
| Schmelzpunkt | 61 °C |
| FEMA | 2879 | 4-PHENYL-2-BUTANOL |
| Flammpunkt | 231 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 15.10±0.20(Predicted) |
| Aggregatzustand | liquid |
| Farbe | Colorless |
| Geruch | at 100.00 %. floral peony foliage sweet mimosa heliotrope |
| Geruchsart | floral |
| JECFA Number | 815 |
| BRN | 1908294 |
| InChI | 1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3 |
| InChIKey | GDWRKZLROIFUML-UHFFFAOYSA-N |
| SMILES | CC(O)CCc1ccccc1 |
| LogP (Verteilungskoeffizient) | 2.23 |
| CAS Datenbank | 2344-70-9(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Phenyl-2-butanol(2344-70-9) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: 4-Phenyl-2-butanolCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzenepropanol, .alpha.-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - 4-Phenyl-2-butanol: Environment tier I assessment |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29062900 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Phenyl-2-butanol is a reagent used for the direct alkylation of amines with primary and secondary alcohols through biocatalytic hydrogen borrowing. It is also used in the preparation of personal care composition comprising malodor reduction compositions.
Herstellung & Synthese
synthetische
The optically inactive product can be prepared by hydrogenation of benzylidene acetone in alcohol solution; under pressure in the presence of platinum oxide, palladium oxide or ferrous sulfate; by reduction with magnesium in methanol.