HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 147608Erstellt: 26. Oktober 2026
Hesperetin dihydrochalcone
HESPERIDINDIHYDROCHALCONE · Hesperitin dihydrochalcone · Hesperetin dihydrochalcone · 4-METHOXY-2',4',6',3-TETRAHYDROXYDIHYDROCHALCONE · 3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one · 3-(3-Hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone · 1-Propanone, 3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)- · 3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one (hesperetin-dihydrochalcone)
https://huagongshe.com/de/chemical/147608
Identifikatoren & physikalische Daten
| CAS No. | 35400-60-3 |
|---|
| Summenformel | C16H16O6 |
|---|
| Durchschnittliche Molmasse | 304,29 g/mol |
|---|
| Monoisotopische Masse | 304,09468823 g/mol |
|---|
| SMILES | COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1O |
|---|
| InChIKey | RWKSTZADJBEXSQ-UHFFFAOYSA-N |
|---|
| PubChem CID | 147608 |
|---|
| ChEMBL | CHEMBL133081 |
|---|
| EC No. | 175-484-0 |
|---|
| DTXSID | DTXSID90188886 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|
| Polarare Oberfläche (TPSA) | 107 |
|---|
| H-Brücken-Donoren | 4 |
|---|
| H-Brücken-Akzeptoren | 6 |
|---|
| Frei drehbare Bindungen | 5 |
|---|
| Schwere Atome | 22 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 362 |
|---|
| Löslichkeit | Practically insoluble to insolubleSoluble (in ethanol) |
|---|
| Physical Description | Slightly grey solidBland aroma |
|---|
| Siedepunkt | 553.1±38.0 °C(Predicted) |
|---|
| Dichte | 1.409±0.06 g/cm3(Predicted) |
|---|
| FEMA | 4872 | 3-(3-HYDROXY-4-METHOXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE |
|---|
| pKa (Säurekonstante) | 7.16±0.40(Predicted) |
|---|
| JECFA Number | 2262 |
|---|
| LogP (Verteilungskoeffizient) | 3.210 (est) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
