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Salicylalkohol
SALICYL ALCOHOL · Salicylic alcohol · SALIGENIN · SALIGENOL · 1‐(2‐Hydroxyphenyl)‐methanol · SALICAIN · Diathesin · SALIGENINE
Identifikatoren & physikalische Daten
| CAS No. | 90-01-7 |
|---|---|
| Summenformel | C7H8O2 |
| Durchschnittliche Molmasse | 124,14 g/mol |
| Monoisotopische Masse | 124,0524295 g/mol |
| SMILES | OCc1ccccc1O |
| InChIKey | CQRYARSYNCAZFO-UHFFFAOYSA-N |
| PubChem CID | 5146 |
| ChEMBL | CHEMBL280802 |
| ChEBI | CHEBI:16464 |
| EC No. | 201-960-5 |
| DTXSID | DTXSID9045843 |
| Lokaler Name | Salicylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 83 |
| Stoffklassen | Other Classes -> Phenols |
| LogP (Verteilungskoeffizient) | 0.56 |
| Dampfdruck | 0.000825 [mmHg] |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Solid |
| Schmelzpunkt | 83-85 °C(lit.) |
| Siedepunkt | 190.92°C (rough estimate) |
| Dichte | 1,613 g/cm3 |
| Brechungsindex | 1.5035 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | ethanol: soluble5%, clear to very slightly hazy, colorless to light yellow67 g/L (22 ºC) |
| pKa (Säurekonstante) | pK1:9.92 (25°C) |
| Aggregatzustand | Crystalline Flakes or Powder |
| Farbe | Light beige |
| Merck | 14,8325 |
| BRN | 1907195 |
| Stabilität | Stable. Incompatible with acids, acid chlorides, acid anhydrides, strong oxidizing agents. |
| Hauptanwendungen | food and beveragespersonal care |
| InChI | 1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2 |
| InChIKey | CQRYARSYNCAZFO-UHFFFAOYSA-N |
| SMILES | OCc1ccccc1O |
| LogP (Verteilungskoeffizient) | 0.730 |
| CAS Datenbank | 90-01-7(CAS DataBase Reference) |
| NIST chemische Informationen | Salicyl alcohol(90-01-7) |
| EPA chemische Informationen | 2-Hydroxybenzenemethanol (90-01-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 35.2% (37 of 105) of reports.WarningH315 (64.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 105 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanol, 2-hydroxy-Benzenemethanol, 2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Allergic contact dermatitis reported in resin handlersThe other methylol phenols are also sensitizers: 3-methylol phenol (620-24-6) and 4-methylol phenol (623-05-2). [Kanerva, p. 1815] |
| Hazard Classes and Categories | Skin Irrit. 2 (64.8%) |
| Unerwünschte Wirkungen | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29072900 |
| RTECS-Nr. | DO6430000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
2-Hydroxybenzyl Alcohol is a phenolic component of a part of a salix bark extract which maintains a minor anti-depressant effect. Phenolic analog with potential for anti-melanomic effect. Also It is an intermediate in the production of phenol formaldehyde res ins (may remain after condensation of the resin); sensitizer in phenol-formaldehyde resins; in loeal anesthetics.