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Cyclohexapentylose
ALPHA-CYCLODEXTRIN · Alfadex · α-cyclodextrin · cyclohexapentylose · CYCLOHEXAAMYLOSE · Cyclohexapentylos · SCHARDINGER ALPHA-DEXTRIN · fadex
Identifikatoren & physikalische Daten
| CAS No. | 10016-20-3 |
|---|---|
| Summenformel | C36H60O30 |
| Durchschnittliche Molmasse | 972,8 g/mol |
| Monoisotopische Masse | 972,31694052 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]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO |
| InChIKey | HFHDHCJBZVLPGP-RWMJIURBSA-N |
| PubChem CID | 444913 |
| ChEMBL | CHEMBL1230813 |
| ChEBI | CHEBI:40585 |
| EC No. | 233-007-4 |
| DTXSID | DTXSID7030698 |
| Lokaler Name | Cyclohexapentylose |
Chemische & physikalische Eigenschaften
| XLogP | -12,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 475 |
| H-Brücken-Donoren | 18 |
| H-Brücken-Akzeptoren | 30 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 66 |
| Formalladung | 0 |
| Komplexität | 1.250 |
| Stoffklassen | Biological Agents -> Oligosaccharides |
| Schmelzpunkt | 532 °F (decomposes) (NTP, 1992)>278 °C (dec.) (lit.) |
| Physical Description | Hexagonal plates or blade-shaped needles. (NTP, 1992)Dry PowderSolid[Merck Index] White or nearly white solidVirtually odorless[JECFA] White powder[Sigma-Aldrich MSDS] |
| Collision Cross Section | 277.8 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID7030698]285.5 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field] |
| Siedepunkt | 784.04°C (rough estimate) |
| Dichte | 1.2580 (rough estimate) |
| Brechungsindex | 1.7500 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | H2O: 50 mg/mLSoluble in water at 1%(w/v) |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 11.77±0.70(Predicted) |
| Farbe | White |
| pH | 5.0-8.0 (1% in solution) |
| Geruch | at 100.00%. odorless |
| Merck | 14,2718 |
| BRN | 4227442 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChIKey | HFHDHCJBZVLPGP-RWMJIURBSA-N |
| LogP (Verteilungskoeffizient) | -7.77 |
| CAS Datenbank | 10016-20-3 |
| NIST chemische Informationen | «alpha»-Cyclodextrin(10016-20-3) |
| EPA chemische Informationen | .alpha.-Cyclodextrin (10016-20-3) |
| Absorption | ≤0.05 at 350-750nm in solution at 1%≤0.10 at 230-250nm in solution at 1% |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 94.8% (73 of 77) of all reports.Not ClassifiedAggregated GHS information provided per 77 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: .alpha.-CyclodextrinRegulation (EC) No 258/1997.alpha.-Cyclodextrin is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of .alpha.-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: 18-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10199Alfadex: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - .alpha.-Cyclodextrin: Human health tier I assessment |
| Brandgefahren | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: A symptom of exposure to this chemical is irritation. |
| Gefahrenübersicht | No developmental toxicity or teratogenicity observed in rats at doses up to 49,300 mg/kg/day (mild maternal toxicity observed)[NTP] Causes changes in liver weight and weight loss in 4-week oral studies of rats[RTECS] Safe when used as a food ingredient and additive at proposed levels and predicted consumption patterns[JECFA] May cause irritationNot a skin irritant in rabbitsNo skin sensitization observed in guinea pigs[Sigma-Aldrich MSDS] See beta-Cyclodextrin and gamma-Cyclodextrin. |
| Reaktive Gruppe | Alcohols and Polyols |
| Reactivity Profile | ALPHA-CYCLODEXTRIN has hydrophobic cavities. It forms inclusion compounds with organic substances, salts, and halogens in the solid state or in aqueous solutions. It is incompatible with strong oxidizing agents. (NTP, 1992) |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Not Classified |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you should spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. You should then use absorbent paper to pick up liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash contaminated surfaces with 60-70% methanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29400090 |
| RTECS-Nr. | GU2292000 |
| R-Sätze (R) | 36-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
α-Cyclodextrine (α-CD) is a cyclic oligosaccharide derived from corn (Trade name: Mirafit fbcx, ArtJen Complexus, Windsor, Ontario, Canada). It has been shown to form a stable complex with dietary fat. This complex is resistant to normal lipolytic hydrolysis by lipases and thereby reduces the absorption and bioavailability of dietary fat[1].