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β,β-Carotin
β-carotene · Carotene · B-CAROTENE · Daucene · C40H56 · Karotin · PROVITAMIN A · Beta-caroten
Identifikatoren & physikalische Daten
| CAS No. | 7235-40-7 |
|---|---|
| Summenformel | C40H56 |
| Durchschnittliche Molmasse | 536,9 g/mol |
| Monoisotopische Masse | 536,43820179 g/mol |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 |
| InChIKey | OENHQHLEOONYIE-JLTXGRSLSA-N |
| PubChem CID | 5280489 |
| ChEMBL | CHEMBL1293 |
| ChEBI | CHEBI:17579 |
| EC No. | 230-636-6 |
| DTXSID | DTXSID3020253 |
| Lokaler Name | β,β-Carotin |
Chemische & physikalische Eigenschaften
| XLogP | 13,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 40 |
| Formalladung | 0 |
| Komplexität | 1.120 |
| Schmelzpunkt | 178-179 °C |
| Siedepunkt | 644.94°C (rough estimate) |
| Dichte | 1.000 |
| Dampfdruck | 0.004Pa at 25℃ |
| Brechungsindex | 1.5630 (estimate) |
| Flammpunkt | 103 °C |
| Lagerbedingungen | -20°C |
| Löslichkeit | hexane: 100 μg/mL, solubleSoluble in hexane, dimethyl sulfoxide, benzene, chloroform, cyclohexane. Insoluble in water. |
| Aggregatzustand | powder |
| Farbe | red to purple |
| Biologische Quelle | synthetic |
| Merck | 14,1853 |
| BRN | 1917416 |
| Stabilität | Stable, but sensitive to air, heat and light. Store at -20C under nitrogen. Pyrophoric - may ignite spontaneously in air at room temperature. |
| Kosmetik-Inhaltsstoffe Funktionen | COLORANTSKIN CONDITIONING |
| InChIKey | OENHQHLEOONYIE-JLTXGRSLSA-N |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 |
| LogP (Verteilungskoeffizient) | 6.5 at 40℃ and pH6.5 |
| CAS Datenbank | 7235-40-7(CAS DataBase Reference) |
| NIST chemische Informationen | «beta» Carotene(7235-40-7) |
| EPA chemische Informationen | .beta.,.beta.-Carotene (7235-40-7) |
Sicherheit & Vorschriften
| F | 1-8-10-16 |
|---|---|
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 32030019 |
| RTECS-Nr. | FI0329500 |
| R-Sätze (R) | 44-36/37/38-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 7-15-18-36-26-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 7235-40-7(Hazardous Substances Data) |
Anwendungen & Verwendung
Occurrence
Beta-carotene is available naturally in fruits and vegetables. Synthetically, it may be manufactured from fungi or algae.