HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Cycloheptapentylose
β-Cyclodextrin · BETA-CYCLODEXTRIN · betadex · B-Cyclodextrin · Cyclodextrins · BCD · CARAWAY · BETA BYCLODEXTRIN
Identifikatoren & physikalische Daten
| CAS No. | 7585-39-9 |
|---|---|
| Summenformel | C42H70O35 |
| Durchschnittliche Molmasse | 1.135 g/mol |
| Monoisotopische Masse | 1.134,36976394 g/mol |
| SMILES | OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO |
| InChIKey | WHGYBXFWUBPSRW-FOUAGVGXSA-N |
| PubChem CID | 444041 |
| ChEMBL | CHEMBL415690 |
| ChEBI | CHEBI:495055 |
| EC No. | 231-493-2 |
| DTXSID | DTXSID1020358 |
| Lokaler Name | Cycloheptapentylose |
Chemische & physikalische Eigenschaften
| XLogP | -15 |
|---|---|
| Polarare Oberfläche (TPSA) | 554 |
| H-Brücken-Donoren | 21 |
| H-Brücken-Akzeptoren | 35 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 77 |
| Formalladung | 0 |
| Komplexität | 1.480 |
| Polymers | Biological Agents -> Polysaccharides |
| Kosmetika | ChelatingAbsorbent |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT, FORMULATION AID -> FDA Substance added to food |
| Löslichkeit | Sparingly soluble in waterfreely soluble in hot waterslightly soluble in ethanol1 M NaOH: 50 mg/mLSoluble in water and ammonium hydroxide. |
| Optical Rotation | [α]D/25 + 160° to + 164° (1 % solution) |
| Physical Description | Dry PowderVirtually odourless white or almost white crystalline solidWhite virtually odorless solid[JECFA] White powder[Sigma-Aldrich MSDS] |
| Collision Cross Section | 319.7 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field] |
| Schmelzpunkt | 290-300 °C (dec.) (lit.) |
| Siedepunkt | 844.96°C (rough estimate) |
| Dichte | 1.2296 (rough estimate) |
| Brechungsindex | 1.7500 (estimate) |
| FEMA | 4028 | BETA-CYCLODEXTRIN |
| Lagerbedingungen | room temp |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 11.73±0.70(Predicted) |
| Farbe | white |
| pH | 5.0-8.0 (1% in solution, Ph Eur) |
| Geruch | at 100.00 %. odorless |
| Geruchsart | odorless |
| Biologische Quelle | plant |
| Merck | 14,2718 |
| BRN | 78623 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Kosmetik-Inhaltsstoffe Funktionen | CHELATINGABSORBENT |
| InChIKey | WHGYBXFWUBPSRW-FOUAGVGXSA-N |
| LogP (Verteilungskoeffizient) | -9.06 |
| EPA chemische Informationen | .beta.-Cyclodextrin (7585-39-9) |
| Absorption | ≤0.05 at 350-750nm in solution at 1%≤0.1 at 230-350nm in solution at 1% |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 99.3% (151 of 152) of all reports.Not ClassifiedAggregated GHS information provided per 152 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: .beta.-CyclodextrinRegulation (EC) No 257/2010.beta.-Cyclodextrin is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of .beta.-Cyclodextrin are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 21-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/1942Beta-cyclodextrin: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - .beta.-Cyclodextrin: Human health tier I assessment |
| Gefahrenübersicht | Composed of 7 glucose units joined togetherAcceptable daily intake (ADI) of 0-5 mg/kg[JECFA] Causes zonal hepatitis and acute tubular necrosis in 52-week constant oral studies of ratsCauses diffuse and zonal hepatitis in 7-week constant oral studies of rats[RTECS] Causes mild skin and eye irritation in rabbitsNot a skin sensitizer in guinea pigs[Sigma-Aldrich MSDS] See alpha-Cyclodextrin. |
| EPA Safer Chemical | Chemical: Cyclodextrin |
| Hazard Classes and Categories | Not Classified |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Toxicity Data | LC50 (rat) > 4,900 mg/m3/4hr |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status |
Anwendungen & Verwendung
Occurrence
A derivative of naturally occurring starch.
Verwenden
β-Cyclodextrin is a cyclic oligosaccharide produced from starch via enzymatic conversion. β-Cyclodextrin is commonly used to produce HPLC columns allowing chiral enantiomers separation.
Herstellung & Synthese
synthetische
Usually produced commercially from Bacillus macerans or B. circulans fermentation of starch or starch hydrolysate.