HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(4-Hydroxy-3-methoxyphenyl)decan-5-on
6-paradol · PARADOL · [6]-Gingerone · 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone · 5-Paradol · 6-Paradol 98% · 3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)- · Parado
Identifikatoren & physikalische Daten
| CAS No. | 27113-22-0 |
|---|---|
| Summenformel | C17H26O3 |
| Durchschnittliche Molmasse | 278,4 g/mol |
| Monoisotopische Masse | 278,18819469 g/mol |
| SMILES | CCCCCCCC(=O)CCc1ccc(O)c(OC)c1 |
| InChIKey | CZNLTCTYLMYLHL-UHFFFAOYSA-N |
| PubChem CID | 94378 |
| ChEMBL | CHEMBL2071440 |
| ChEBI | CHEBI:10137 |
| EC No. | 248-228-1 |
| DTXSID | DTXSID90181574 |
| Lokaler Name | 1-(4-Hydroxy-3-methoxyphenyl)decan-5-on |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 265 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Practically insoluble or insoluble in waterSoluble (in ethanol)Chloroform (Slightly), Methanol (Slightly) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 406.00 to 408.00 °C. @ 760.00 mm Hg406.4±30.0 °C(Predicted) |
| Schmelzpunkt | 31 - 32 °C |
| Physical Description | SolidWhite powderSpicy herbal aroma |
| Dichte | 1.0690 g/cm3 |
| Brechungsindex | 1.5232 (589.3 nm 20℃) |
| FEMA | 4665 | 1-(4-HYDROXY-3-METHOXYPHENYL)DECAN-3-ONE |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 10.02±0.20(Predicted) |
| Farbe | White to Brown |
| Geruch | spicy herbal |
| Geruchsart | spicy |
| JECFA Number | 2021 |
| Hauptanwendungen | food and beveragespharmaceutical |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChI | InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3 |
| InChIKey | CZNLTCTYLMYLHL-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(O)C(OC)=C1)CC(=O)CCCCCCC |
| LogP (Verteilungskoeffizient) | 3.83 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 77.4% (89 of 115) of all reports.WarningH317 (22.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Sens. 1 (22.6%) |
| Wassergefährdungsklasse (WGK) | WGK 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Paradol is a Gingerol related compound from ginger with antioxidant activity and cancer preventive properties.