Heptakis(2,6-di-O-methyl)-b-cyclodextrin

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Names

[ CAS No. ]:
51166-71-3

[ Name ]:
Heptakis(2,6-di-O-methyl)-b-cyclodextrin

[Synonym ]:
Dimethyl-beta-cyclodextrin,methylated beta-cyclodextrins
2,6-Di-O-methyl-β-cyclodextrin
Dimethyl β-cyclodextrin
Heptakis(2,6-di-O-methyl)-b-cyclodextrin
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-37,39,41,43,45,47,49-Heptamethoxy-5,10,15,20,25,30,35-heptakis( ;methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2.2.2.2.2.2]nonatetracontane-36,38,40,42,44,46,48-heptol
MFCD00011616
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-37,39,41,43,45,47,49-Heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2.2.2.2.2.2]nonatetracontane-36,38,40,42,44,46,48-heptol (non-preferred name)

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
1203.6±65.0 °C at 760 mmHg

[ Melting Point ]:
298 - 310ºC

[ Molecular Formula ]:
C56H98O35

[ Molecular Weight ]:
1331.356

[ Flash Point ]:
681.7±34.3 °C

[ Exact Mass ]:
1330.588867

[ PSA ]:
400.05000

[ LogP ]:
6.96

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.553

[ Storage condition ]:
Refrigerator

[ Water Solubility ]:
H2O: soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU2293500
CHEMICAL NAME :
beta-Cyclodextrin, 2(sup A),2(sup B),2(sup C),2(sup D),2(sup E),2(sup F),2(sup G),6(sup A),6 (sup B),6(sup C),6(sup D),6(sup E),6(sup F),6(sup G)-tetradeca-O-methyl-
CAS REGISTRY NUMBER :
51166-71-3
LAST UPDATED :
199406
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C56-H98-O35

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOIPDF Journal of Inclusion Phenomena. (D. Reidel Publishing Co., c/o Kluwer Academic Publishers, P.O. Box 322, 3300 AH Dordrecht, Netherlands) V.1- 1983- Volume(issue)/page/year: 1,135,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
220 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOIPDF Journal of Inclusion Phenomena. (D. Reidel Publishing Co., c/o Kluwer Academic Publishers, P.O. Box 322, 3300 AH Dordrecht, Netherlands) V.1- 1983- Volume(issue)/page/year: 1,135,1983
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOIPDF Journal of Inclusion Phenomena. (D. Reidel Publishing Co., c/o Kluwer Academic Publishers, P.O. Box 322, 3300 AH Dordrecht, Netherlands) V.1- 1983- Volume(issue)/page/year: 1,135,1983
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOIPDF Journal of Inclusion Phenomena. (D. Reidel Publishing Co., c/o Kluwer Academic Publishers, P.O. Box 322, 3300 AH Dordrecht, Netherlands) V.1- 1983- Volume(issue)/page/year: 1,135,1983

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Safety Phrases ]:
24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
GU2293500

[ HS Code ]:
29400090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Heptakis(2,6-di-O-methyl-3-O-benzoyl)-β-cyclodextrin
  • Dimethyl sulfate
  • β-cyclodextrin
  • γ-Cyclodextrin
  • methyl iodide

DownStream

  • (5R,5aR,8aR,9R)-5-hydroxy-4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

Articles

Evaluation of the separation mechanism of electrokinetic chromatography with a microemulsion and cyclodextrins using NMR and molecular modeling.

Electrophoresis 32(21) , 3062-9, (2011)

Electrokinetic chromatography (EKC) allows the separation of closely related substances by the detection of fine effects in analyte-separation system interactions. With the goal of understanding the f...

Synthesis, cytotoxicity, and phase-solubility study of cyclodextrin click clusters.

J. Pharm. Sci. 103(10) , 3183-9, (2014)

To explore the possibility of cyclodextrin click clusters (CCCs) as a new cyclodextrin-based excipient, we prepared three different CCCs; heptakis{6-(4-hydroxymethyl-1H-[1,2,3]triazol-1-yl)-6-deoxy}-β...

Host-guest interaction between new nitrooxoisoaporphine and β-cyclodextrins: synthesis, electrochemical, electron spin resonance and molecular modeling studies.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 102 , 226-34, (2013)

A new nitrooxoisoaporphine derivative was synthetized and characterized by cyclic voltammetry and electron spin resonance. Its aqueous solubility was improved by complexes formation with β-cyclodextri...


More Articles

Related Compounds

  • Heptakis(2,6-di-O-methyl-3-O-benzoyl)-β-cyclodextrin
  • Heptakis-(2,6-di-O-tert.-Butyldimethylsilyl)-beta-Cyclodextrin
  • HEPTAKIS(2,6-DI-O-METHYL-3-O-''PENTYL)-BETA-CYCLODEXTRIN*
  • HEPTAKIS-(2,6-DI-O-PENTYL)-BETA-CYCLODEXTRIN
  • Heptakis-(2,6-di-O-ethyl)-β-cyclodextrin
  • Heptakis-(2,6-di-O-butyl-3-O-acetyl)-beta-Cyclodextrin
  • (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanol
  • N-(3,5-dimethylphenyl)-2-((3-(3,5-dimethylphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
  • 4-Amino-N-(1-azabicyclo[3.2.1]oct-5-ylmethyl)-5-chloro-2-methoxybenzamide
  • N-(4-butylphenyl)-2-((3-(3,5-dimethylphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
  • 2-((3-(3,5-dimethylphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(2-fluorophenyl)acetamide
  • 2-((3-(3,5-dimethylphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(3-fluorophenyl)acetamide
  • N-(4-chlorophenyl)-2-((3-(3,5-dimethylphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
  • N-(2,4-difluorophenyl)-2-((3-(3,5-dimethylphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
  • N-(3,4-dichlorophenyl)-2-((3-(3,5-dimethylphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
  • N-(3-chloro-4-methylphenyl)-2-((3-(3,5-dimethylphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
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