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4-Hydroxyphenethylalkohol
TYROSOL · 4-(2-HYDROXYETHYL)PHENOL · Benzeneethanol, 4-hydroxy- · 2-(4-HYDROXYPHENYL)ETHANOL · P-HYDROXYPHENYLETHANOL · 4-Hydroxyphenylethanol · p-Hydroxyphenylethyl alcohol · 4-Hydroxyphenyl-2-ethanol
Identifikatoren & physikalische Daten
| CAS No. | 501-94-0 |
|---|---|
| Summenformel | C8H10O2 |
| Durchschnittliche Molmasse | 138,16 g/mol |
| Monoisotopische Masse | 138,06807956 g/mol |
| SMILES | OCCc1ccc(O)cc1 |
| InChIKey | YCCILVSKPBXVIP-UHFFFAOYSA-N |
| PubChem CID | 10393 |
| ChEMBL | CHEMBL53566 |
| ChEBI | CHEBI:1879 |
| EC No. | 207-930-8 |
| DTXSID | DTXSID8060111 |
| Lokaler Name | 4-Hydroxyphenethylalkohol |
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 | 85,3 |
| LogP (Verteilungskoeffizient) | 0.69 |
| Aromastoffe | EU Flavoring substances |
| Siedepunkt | 308.00 to 311.00 °C. @ 760.00 mm Hg195°C (18 mmHg) |
| Schmelzpunkt | 90 °C89-92 °C(lit.) |
| Physical Description | Solid |
| Collision Cross Section | 138.71 Ų [M-H]- [CCS Type: DTMethod: stepped-field]138.2 Ų [M-H]- |
| Dichte | 1.0742 (rough estimate) |
| Brechungsindex | 1.5590 (estimate) |
| Flammpunkt | 139°C/1mm |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 124g/lslightly soluble |
| pKa (Säurekonstante) | 10.17±0.13(Predicted) |
| Aggregatzustand | Crystals or Crystalline Powder |
| Farbe | Off-white to light beige |
| Geruch | at 100.00 %. mild sweet floral fruity |
| Geruchsart | floral |
| BRN | 1859884 |
| Henry-Konstante | 3.5×105 mol/(m3Pa) at 25℃, McFall et al. (2020) |
| Hauptanwendungen | cleaning productscosmeticsenvironmentalflavors and fragrancesfood and beveragespersonal care |
| Kosmetik-Inhaltsstoffe Funktionen | ORAL CARESKIN CONDITIONING - MISCELLANEOUSANTIOXIDANT |
| InChI | 1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2 |
| InChIKey | YCCILVSKPBXVIP-UHFFFAOYSA-N |
| SMILES | OCCc1ccc(O)cc1 |
| LogP (Verteilungskoeffizient) | 0.851 (est) |
| CAS Datenbank | 501-94-0(CAS DataBase Reference) |
| NIST chemische Informationen | Benzeneethanol, 4-hydroxy-(501-94-0) |
| EPA chemische Informationen | 4-Hydroxybenzeneethanol (501-94-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (95.4%): 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 65 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzeneethanol, 4-hydroxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 25-07-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/19342Benzeneethanol, 4-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Skin Irrit. 2 (95.4%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29072900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-24/25-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Phenolic antioxidant.