Cycloheptapentylose
beta-Cyclodextrin
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Grundinformationen
- CAS
7585-39-9- Standard-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- Summenformel
- C42H70O35
- Durchschnittliche Molmasse
- 1.135 g/mol
- Monoisotopische Masse
- 1.134,3697639
Überblick
Beta-cyclodextrin is a cyclodextrin composed of seven alpha-(14) linked D-glucopyranose units.
Namen und Bezeichner
- Bevorzugter Name
- beta-Cyclodextrin
- IUPAC
- (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
- Lokaler Name
- Cycloheptapentylose
- Englischer Name
- β-Cyclodextrin
- Summenformel
- C42H70O35
- Molmasse
- 1134.99
Namen und Synonyme
beta-CYCLODEXTRIN7585-39-9BetadexCycloheptaamyloseCyclomaltoheptaoseCycloheptaglucanCycloheptaglucosanKleptosebeta-Cycloamylosebeta-DextrinKleptose BRhodocap N
Weitere Namen anzeigen
β-CyclodextrinB-CyclodextrinCyclodextrinsBCDCARAWAYBETA BYCLODEXTRINBETA-CYCLODEXTRINE
Ringdex BRingdex BLbeta-CycloheptaamyloseBetacdOristar bcdRingdex-bBeta cyclodextrinDTXSID1020358
Datenbank-Bezeichner
- CAS
7585-39-9- PubChem CID
- 444041
- DTXSID
DTXSID1020358- ChEMBL
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -15
- Polarare Oberfläche (TPSA)
- 554 Ų
- H-Brücken-Donoren
- 21
- H-Brücken-Akzeptoren
- 35
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 77
- Formalladung
- 0
- Komplexität
- 1.480
Experimentelle und physikochemische Eigenschaften
PolymersBiological Agents -> Polysaccharides
CosmeticsChelating; Absorbent
Food AdditivesFLAVORING AGENT OR ADJUVANT, FORMULATION AID -> FDA Substance added to food
SolubilitySparingly soluble in water; freely soluble in hot water; slightly soluble in ethanol
Optical Rotation[α]D/25 + 160° to + 164° (1 % solution)
Physical Description
Dry Powder
Virtually odourless white or almost white crystalline solid
White virtually odorless solid; [JECFA] White powder; [Sigma-Aldrich MSDS]
Collision Cross Section320.3 Ų [M+K]+ [CCS Type: DT; Method: stepped-field]
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99.3% (151 of 152) of all reports.
Not Classified
Aggregated GHS information provided per 152 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: .beta.-Cyclodextrin
Regulation (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)
REACH registered substance: Cycloheptapentylose (EC: 231-493-2)
Beta-cyclodextrin: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - .beta.-Cyclodextrin: Human health tier I assessment
Hazards Summary
Composed of 7 glucose units joined together; Acceptable daily intake (ADI) of 0-5 mg/kg; [JECFA] Causes zonal hepatitis and acute tubular necrosis in 52-week constant oral studies of rats; Causes diffuse and zonal hepatitis in 7-week constant oral studies of rats; [RTECS] Causes mild skin and eye irritation in rabbits; Not a skin sensitizer in guinea pigs; [Sigma-Aldrich MSDS] See alpha-Cyclodextrin.
EPA Safer ChemicalChemical: Cyclodextrin
Hazard Classes and CategoriesNot Classified
Toxikologische Informationen
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances used in the processing or storage of foods or animal feed including ANTIOXIDANTS; FOOD PRESERVATIVES; FOOD COLORING AGENTS; FLAVORING AGENTS; ANTI-INFECTIVE AGENTS; EXCIPIENTS and other similarly used substances. Many of the same substances are used as PHARMACEUTIC AIDS.
Compounds that bind to and reduce the biological availability of a chemical or pharmaceutical agent.
Verwendung und Herstellung
UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as flavoring agent and formulation aid; [FDA] Used as a thickening agent and an encapsulation agent for food additives, flavoring, and vitamins; [JECFA]
U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesDeodorizer
Industry UsesDispersing agent
Use Classification
EPA Safer Chemical Functional Use Classes -> Uncategorized
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Food additives
Food Additives -> ADJUVANT -> JECFA Functional Classes
Food Additives -> ADJUVANT -> JECFA Functional Classes
Food Additives -> ADJUVANT -> JECFA Functional Classes
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
.beta.-Cyclodextrin: ACTIVE
Anwendungen
OccurrenceA derivative of naturally occurring starch.
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