Cycloheptapentylose

beta-Cyclodextrin

HCID 444041CAS 7585-39-9

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Grundinformationen

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: 1.134,36976394

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: CHEMBL415690
ChEBI: CHEBI:495055
UNII: JV039JZZ3A
EC Number: 231-493-2
Nikkaji: J245.583H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -15
Polarare Oberfläche (TPSA): 554 Å²
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 · 3 Einträge

Dry Powder

Virtually odourless white or almost white crystalline solid

White virtually odorless solid; [JECFA] White powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 290 · 290-300 °C (dec.) (lit.)
Siedepunkt: 844.96 °C · 844.96°C (rough estimate)
Dichte: 1.2296 · 1.2296 (rough estimate)
Brechungsindex: 1.75 · 1.7500 (estimate)
FEMA: 4028 · 4028 | BETA-CYCLODEXTRIN
storage temp.: room temp
Löslichkeit: 1 M · 1 M NaOH: 50 mg/mL
Aggregatzustand: powder
pka: 11.73 · 11.73±0.70(Predicted)
Farbe: white
PH: 5 · 5.0-8.0 (1% in solution, Ph Eur)
Geruch (Odor): 100 % · at 100.00 %. odorless
Geruchsart: odorless
Biologische Quelle: plant
Wasserlöslichkeit: Soluble in water and ammonium hydroxide.
Merck: 14 · 14,2718
BRN: 78623 · 78623
Stabilität: Stable. Incompatible with strong oxidizing agents.
Kosmetik-Inhaltsstoffe Funktionen: CHELATINGABSORBENT
InChIKey: WHGYBXFWUBPSRW-FOUAGVGXSA-N
LogP: -9.06 · -9.06
EPA chemische Informationen: .beta.-Cyclodextrin (7585-39-9)
Absorption: 0.05 at · ≤0.05 at 350-750nm in solution at 1%≤0.1 at 230-350nm in solution at 1%

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

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 · 5 Einträge

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)

Status: Active Update: 21-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/1942

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 · 1 Eintrag

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

Adverse EffectsOccupational 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 DataLC50 (rat) > 4,900 mg/m3/4hr

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 29400000
RTECS-Nr.: GU2293000
risk_code: 36/37/38-20
hazard_code: Xi
safety_code: 26-36-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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 · 6 Einträge

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

General Manufacturing Information · 2 Einträge

All Other Chemical Product and Preparation Manufacturing

.beta.-Cyclodextrin: ACTIVE

Anwendungen

OccurrenceA derivative of naturally occurring starch.

Verwendenβ-Cyclodextrin is a cyclic oligosaccharide produced from starch via enzymatic conversion. β-Cyclodextrin is commonly used to produce HPLC columns allowing chiral enantiomers separation.