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1-Phenylpropan-2-ol
Benzeneethanol, .alpha.-methyl- · alpha-Methylbenzeneethanol · 3-Phenyl-2-propanol · Benzeneethanol, a-methyl- · NSC 53553 · Ai3-05531 · Methylbenzeneethanol · 2-Propanol, 1-phenyl-
Identifikatoren & physikalische Daten
| CAS No. | 14898-87-4 |
|---|---|
| Summenformel | C9H12O |
| Durchschnittliche Molmasse | 136,19 g/mol |
| Monoisotopische Masse | 136,088815 g/mol |
| SMILES | CC(O)Cc1ccccc1 |
| InChIKey | WYTRYIUQUDTGSX-UHFFFAOYSA-N |
| PubChem CID | 94185 |
| EC No. | 211-821-0 |
| DTXSID | DTXSID70862379 |
| Lokaler Name | 1-Phenylpropan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 84,7 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| LogP (Verteilungskoeffizient) | 1.97 |
| Dampfdruck | 0.01 [mmHg] |
| Physical Description | Clear colorless liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 135-136℃ |
| Siedepunkt | 219-221 °C (lit.) |
| Dichte | 0.973 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.522(lit.) |
| Flammpunkt | 85 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 15.24±0.20(Predicted) |
| Farbe | Colourless |
| Geruch | at 100.00 %. weak rose |
| Geruchsart | floral |
| BRN | 1858667 |
| InChI | 1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 |
| InChIKey | WYTRYIUQUDTGSX-UHFFFAOYSA-N |
| SMILES | CC(O)Cc1ccccc1 |
| LogP (Verteilungskoeffizient) | 1.970 |
| CAS Datenbank | 698-87-3 |
| EPA chemische Informationen | 1-Phenyl-2-propanol (698-87-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| Regulatorische Informationen | Chemical: Benzeneethanol, .alpha.-methyl-Benzeneethanol, .alpha.-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzeneethanol, .alpha.-methyl-: Environment tier I assessment |
| Gefahrenübersicht | Causes ataxia in intraperitoneal lethal-dose studies of mice (LD50 = 520 mg/kg)[RTECS] May cause irritation[Sigma-Aldrich MSDS] See 2-Methyl-1-phenyl-2-propanol and 2-Phenylisopropanol. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29062990 |
| RTECS-Nr. | SG8589500 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Methylbenzeneethanol is a chemical reagent used towards the synthesis of ruthenium nanoparticles supported on graphene.