HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Divanillin
DIVANILLIN · 5,5'-Bivanillin · Dehydrovanillin · dehydrodivanillin · 6 6'-DIHYDROXY-5 5'-DIMETHOXY-(1 1'-BIP& · 6,6'-dihydroxy-5,5'-dimethoxy-(1,1'-biphen -yl)-3 · 5,5'-Dimethoxy-6,6'-dihydroxybiphenyl-3,3'-dicarbaldehyde · 6,6'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 2092-49-1 |
|---|---|
| Summenformel | C16H14O6 |
| Durchschnittliche Molmasse | 302,28 g/mol |
| Monoisotopische Masse | 302,07903816 g/mol |
| SMILES | COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2O)c1O |
| InChIKey | NSTQUZVZBUTVPY-UHFFFAOYSA-N |
| PubChem CID | 95086 |
| ChEMBL | CHEMBL41304 |
| EC No. | 639-022-6 |
| DTXSID | DTXSID30862830 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 93,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 351 |
| Löslichkeit | Practically insoluble to insoluble in watersoluble in benzyl alcoholSoluble (in ethanol)DMSO (Slightly), Ethanol (Slightly, Heated), Methanol (Slightly) |
| Schmelzpunkt | 315.00 °C. @ 760.00 mm Hg315 °C(lit.) |
| Physical Description | White solidFruity vanilla aroma |
| Siedepunkt | 486.3±45.0 °C(Predicted) |
| Dichte | 1.356±0.06 g/cm3(Predicted) |
| FEMA | 4107 | DIVANILLIN |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.62±0.48(Predicted) |
| Farbe | Dark Brown to Very Dark Gray |
| Geruch | at 100.00 %. fruity vanilla |
| Geruchsart | vanilla |
| JECFA Number | 1881 |
| LogP (Verteilungskoeffizient) | 1.57 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (99.3%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 153 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012) |
| Hazard Classes and Categories | Acute Tox. 4 (99.3%)Eye Irrit. 2 (100%) |
| R-Sätze (R) | 22-36 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
Dehydrodivanillin is used as a reactant in the preparation of antioxidant phenolic diaryl hydrazones as antiangiogenic agents for atherosclerosis therapy. Also used as a taste enhancer.