HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Ethoxyphenol
2OP · NSC 9885 · FEMA 3695 · AURORA 9493 · 4-thoxyphenol · Ethoxy phenol · 4-ETHOXYPHENOL · p-ethoxy-pheno

Identifikatoren & physikalische Daten
| CAS No. | 622-62-8 |
|---|---|
| Summenformel | C8H10O2 |
| Durchschnittliche Molmasse | 138,16 g/mol |
| Monoisotopische Masse | 138,06807956 g/mol |
| SMILES | CCOc1ccc(O)cc1 |
| InChIKey | LKVFCSWBKOVHAH-UHFFFAOYSA-N |
| PubChem CID | 12150 |
| ChEMBL | CHEMBL225153 |
| ChEBI | CHEBI:179262 |
| EC No. | 210-748-1 |
| DTXSID | DTXSID3044251 |
| Lokaler Name | 4-Ethoxyphenol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 85,3 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Duftstoffe | Fragrance substance (Hydroquinone monoethyl ether) -> IFRA amendment 40 |
| LogP (Verteilungskoeffizient) | 1.811.95 |
| Lebensmittelzusatzstoffe | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | slightly soluble to soluble in watersoluble in oilsmoderately soluble (in ethanol)almost transparency in Methanol |
| Siedepunkt | 246.00 to 247.00 °C. @ 760.00 mm Hg246-247 °C131 °C (9 mmHg) |
| Schmelzpunkt | 66 - 67 °C64-67 °C |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | SolidWhite or colourless crystals, sweet herbaceous odour reminiscent of anise and fennel |
| Dichte | 1.0742 (rough estimate) |
| Brechungsindex | 1.5231 (estimate) |
| FEMA | 3695 | HYDROQUINONE MONOETHYL ETHER |
| Flammpunkt | 121°C/9mm |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Crystalline Powder or Chunks |
| pKa (Säurekonstante) | 10.44±0.13(Predicted) |
| Farbe | Beige |
| Geruch | at 10.00 % in dipropylene glycol. mild hawthorn phenolic plastic nutty |
| Geruchsart | animal |
| JECFA Number | 720 |
| BRN | 1907114 |
| Hauptanwendungen | cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care |
| InChI | 1S/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3 |
| InChIKey | LKVFCSWBKOVHAH-UHFFFAOYSA-N |
| SMILES | CCOc1ccc(O)cc1 |
| LogP (Verteilungskoeffizient) | 1.87 |
| CAS Datenbank | 622-62-8(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Ethoxyphenol(622-62-8) |
| EPA chemische Informationen | Phenol, 4-ethoxy- (622-62-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 159 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 4-ethoxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Phenol, 4-ethoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29071990 |
| RTECS-Nr. | SL3790000 |
| R-Sätze (R) | 41-37/38-22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 37/39-26-36 |
| Lagerklasse | 13 - Non Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Ethoxyphenol has been used as substrate to evaluate kinetic constant for the monophenolase activity of mushroom tyrosinase.
Herstellung & Synthese
synthetische
Hydroquinone monoethyl ether is produced by regulated (Mono)-ethylation of Hydroquinone with Diethylsulfate in weak aqueous alkaline solution.