HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Dihydrocapsiate
Dihydrocapsiate · Dihydrocapsiate【5088】 · 4-Hydroxy-3-Methoxybenzyl 8-Methylnonanoate · (4-hydroxy-3-methoxyphenyl)methyl 8-methylnonanoate · 8-Methylnonanoic acid (4-hydroxy-3-methoxyphenyl)methyl este · 8-Methylnonanoic acid (4-hydroxy-3-methoxyphenyl)methyl ester · Nonanoic acid,8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 205687-03-2 |
|---|---|
| Summenformel | C18H28O4 |
| Durchschnittliche Molmasse | 308,4 g/mol |
| Monoisotopische Masse | 308,19875938 g/mol |
| SMILES | COc1cc(COC(=O)CCCCCCC(C)C)ccc1O |
| InChIKey | RBCYRZPENADQGZ-UHFFFAOYSA-N |
| PubChem CID | 9873754 |
| ChEBI | CHEBI:174951 |
| EC No. | 859-192-7 |
| DTXSID | DTXSID80174576 |
Chemische & physikalische Eigenschaften
| XLogP | 5 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 303 |
| Siedepunkt | 413.6±30.0 °C(Predicted) |
| Dichte | 1.038 |
| Lagerbedingungen | Store at -20°C, protect from light |
| pKa (Säurekonstante) | 9.51±0.20(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Colorless to light yellow |
| Hauptanwendungen | cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care |
| InChI | 1S/C18H28O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h10-12,14,19H,4-9,13H2,1-3H3 |
| InChIKey | RBCYRZPENADQGZ-UHFFFAOYSA-N |
| SMILES | OC1=C(OC)C=C(COC(CCCCCCC(C)C)=O)C=C1 |
| LogP (Verteilungskoeffizient) | 5.094 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Regulation (EC) No 258/1997 |
| Hazard Classes and Categories | Aquatic Chronic 4 (50%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Aquatic Chronic 4 |
Anwendungen & Verwendung
Verwenden
Dihydrocapsiate, is a complex that is found in chili peppers which has been used in different biological studies to determine the inhibitory effects. This includes the studies performed on cytochrome P 450 3A4 in human liver microsomes.