Skip to Content
Merck
CN

H4645

Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin

≥90%

Synonym(s):

2,3,6-Tri-O-methyl-β-cyclodextrin, Trimethyl-β-cyclodextrin

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Empirical Formula (Hill Notation):
C63H112O35
CAS Number:
55216-11-0
Molecular Weight:
1429.54
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
24895649
MDL number:
MFCD00010728
Beilstein/REAXYS Number:
78748

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin, ≥90%

InChI

1S/C63H112O35/c1-64-22-29-36-43(71-8)50(78-15)57(85-29)93-37-30(23-65-2)87-59(52(80-17)44(37)72-9)95-39-32(25-67-4)89-61(54(82-19)46(39)74-11)97-41-34(27-69-6)91-63(56(84-21)48(41)76-13)98-42-35(28-70-7)90-62(55(83-20)49(42)77-14)96-40-33(26-68-5)88-60(53(81-18)47(40)75-12)94-38-31(24-66-3)86-58(92-36)51(79-16)45(38)73-10/h29-63H,22-28H2,1-21H3/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1

SMILES string

COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COC)O[C@H](O[C@@H]4[C@@H](COC)O[C@H](O[C@@H]5[C@@H](COC)O[C@H](O[C@@H]6[C@@H](COC)O[C@H](O[C@@H]7[C@@H](COC)O[C@H](O[C@@H]8[C@@H](COC)O[C@H](O[C@H]1[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC

InChI key

DSDAICPXUXPBCC-MWDJDSKUSA-N

assay

≥90%

form

powder

technique(s)

electrophoresis: suitable

mp

170-178 °C (lit.)

storage temp.

2-8°C

Quality Level

200

Looking for similar products? Visit Product Comparison Guide

Application

Chiral additive in liquid chromatography for enantiomer resolution. Chiral separation of basic drug substances by capillary electrophoresis.
Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin may be used:
  • To investigate the crystal structure of its complexes with m-iodophenol, 4-biphenylacetic acid and (R)- and (S)-flurbiprofen by X-ray analysis.
  • To study the candidature of its complex with vitamin A for potential application as a drug delivery system for ophthalmic applications by high sensitivity fluorescence spectrometry and high pressure liquid chromatography (HPLC) techniques.
  • In the determination of the analyte composition in commercial samples by HPLC coupled to mass spectrometry (MS).

General description

Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin is a β-cyclodextrin derivative that finds potential use in pharmaceutical, food and cosmetic applications. Its attractive features include: the non-polar cavity desirable for its use as a molecular host for a wide range of molecules and its affinity for organic compounds in solution as well as crystalline phases.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

新产品
This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCM3991
BCCJ9040
BCCH1782
BCCF4923
BCCF1200

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Koji Kano et al.
Journal of the American Chemical Society, 125(35), 10625-10634 (2003-08-28)
A new methodology for preparing heteroporphyrin arrays in aqueous solution has been presented. The present method is based on the extremely strong ability of heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin (TMe-beta-CD) to include 5,10,15,20-tetrakis(p-substituted-phenyl)porphyrins (Por) affording trans-type 1:2 complexes of the porphyrins and TMe-beta-CD. Two
María Castro-Puyana et al.
Electrophoresis, 27(4), 887-895 (2006-01-18)
The four stereoisomers of itraconazole were resolved for the first time by EKC using a CD as chiral selector. A study on the enantiomeric separation ability of different neutral CDs was carried out. Heptakis-2,3,6-tri-O-methyl-beta-CD was shown to provide the highest
Alessandra Ammazzalorso et al.
Journal of chromatography. A, 1088(1-2), 110-120 (2005-09-01)
The enantiomeric separation of gemfibrozil chiral analogues was performed by capillary zone electrophoresis (CZE). Resolution of the enantiomers was achieved using heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin (TM-beta-CD) as chiral selector dissolved into a buffer solution. In order to optimize the separation conditions, type, pH
Stabilization of all-trans-retinol by cyclodextrins: a comparative study using HPLC and fluorescence spectroscopy
Semenova EM, et al.
Journal of Inclusion Phenomena and Macrocyclic Chemistry, 44(1-4), 155-158 (2002)
Crystal structures of heptakis (2, 3, 6-tri-O-methyl)-beta-cyclodextrin complexes with (R)-and (S)-Flurbiprofen
Harata K, et al.
Journal of inclusion phenomena, 6(5), 443-460 (1988)
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service