HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Allylphenol
Chavicol · Phenol, 4-(2-propenyl)- · p-Chavicol · 4-ALLYLPHENOL · p-Allylphenol · Phenol, p-allyl- · 4-(2-propenyl)-pheno · 4-(2-Propenyl)phenol
Identifikatoren & physikalische Daten
| CAS No. | 501-92-8 |
|---|---|
| Summenformel | C9H10O |
| Durchschnittliche Molmasse | 134,17 g/mol |
| Monoisotopische Masse | 134,07316494 g/mol |
| SMILES | C=CCc1ccc(O)cc1 |
| InChIKey | RGIBXDHONMXTLI-UHFFFAOYSA-N |
| PubChem CID | 68148 |
| ChEMBL | CHEMBL108862 |
| ChEBI | CHEBI:50158 |
| EC No. | 207-929-2 |
| DTXSID | DTXSID60198210 |
| Lokaler Name | p-Allylphenol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 101 |
| SpringerMaterials Properties | Optical coefficient |
| Duftstoffe | Fragrance Ingredient (4-Allylphenol) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 2.910 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.017-1.023d415 1.0203d420 1.0175 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Insoluble in waterSoluble (in ethanol) |
| Siedepunkt | 234.00 to 236.00 °C. @ 760.00 mm Hg235 °Cbp760 238°bp16 123° |
| Schmelzpunkt | 16 °C15.8° |
| Brechungsindex | 1.542-1.548nD18 1.5441 |
| Physical Description | LiquidColourless liquidMedicinal phenolic aroma |
| FEMA | 4075 | 4-ALLYLPHENOL |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 10.24±0.13(Predicted) |
| Farbe | Colorless to light yellow |
| Geruch | at 0.10 % in dipropylene glycol. phenolic medicinal herbal |
| Geruchsart | phenolic |
| JECFA Number | 1527 |
| LogP (Verteilungskoeffizient) | 2.91 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 4-(2-propenyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Phenol, 4-(2-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (66.7%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H316 |
Anwendungen & Verwendung
Occurrence
Reported found in Alpinia galanga oil (0.20%), bay leaf oil (