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Phenylethan-1,2-diol
1-Phenylethane-1,2-diol · STYRENE GLYCOL · Styryl alcohol · Kelex-123 · Fenylglycol · styren glycol · 'STYROLGLYKOL' · styrolylalcohol
Identifikatoren & physikalische Daten
| CAS No. | 93-56-1 |
|---|---|
| Summenformel | C8H10O2 |
| Durchschnittliche Molmasse | 138,16 g/mol |
| Monoisotopische Masse | 138,06807956 g/mol |
| SMILES | OCC(O)c1ccccc1 |
| InChIKey | PWMWNFMRSKOCEY-UHFFFAOYSA-N |
| PubChem CID | 7149 |
| ChEMBL | CHEMBL3188703 |
| ChEBI | CHEBI:183269 |
| EC No. | 202-258-1 |
| DTXSID | DTXSID8042422 |
| Lokaler Name | Phenylethan-1,2-diol |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 87,3 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| Physical Description | Solid[Merck Index] Nearly white crystalline powder[Acros Organics MSDS] |
| Schmelzpunkt | 66-68 °C(lit.) |
| Siedepunkt | 272-274 °C760 mm Hg(lit.) |
| Dichte | 1.0742 (rough estimate) |
| Brechungsindex | 1.5340 (estimate) |
| Flammpunkt | 160°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethanol, Methanol (Slightly)almost transparency |
| pKa (Säurekonstante) | 13.61±0.20(Predicted) |
| Aggregatzustand | Crystalline Powder or Flakes |
| Farbe | White to light beige |
| Merck | 14,8861 |
| BRN | 1306723 |
| InChI | 1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2 |
| InChIKey | PWMWNFMRSKOCEY-UHFFFAOYSA-N |
| SMILES | OCC(O)c1ccccc1 |
| CAS Datenbank | 93-56-1(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2-Ethanediol, 1-phenyl-(93-56-1) |
| EPA chemische Informationen | Styrene glycol (93-56-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not ClassifiedAggregated GHS information provided per 11 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Ethanediol, 1-phenyl-1,2-Ethanediol, 1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes impaired liver function tests in 30-day intermittent oral studies of rabbits[RTECS] May cause irritation[Acros Organics MSDS] See alpha-Methylbenzyl alcohol, 2-Phenylisopropanol, Phenylethyl alcohol, and Benzyl alcohol. |
| Hazard Classes and Categories | Not Classified |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29062900 |
| RTECS-Nr. | KI2500000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Phenyl-1,2-ethanediol is used as a metabolite of Styrene (S687790) in mammals.