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51707

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

Name: Heptakis(2,3,6-tri-<I>O</I>-methyl)-β-cyclodextrin
Brand: SIAL

≥98.0%

Synonym(s):

TM-β-CD, TM‐β‐CyD, TRIMEB, 2,3,6-Tri-O-methyl-β-cyclodextrin, Trimethyl-β-cyclodextrin

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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:

329757734

MDL number:

MFCD00010728

Beilstein/REAXYS Number:

78748

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Properties

Quality Level

100

assay

≥98.0% (TLC), ≥98.0%

form

powder or crystals

optical activity

[α]25/D +157±4°, c = 1% in H₂O

mp

170-178 °C (lit.)

solubility

H₂O: 50 mg/mL, slightly turbid, colorless

functional group

ether

storage temp.

2-8°C

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

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

InChI key

DSDAICPXUXPBCC-MWDJDSKUSA-N

Description

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.

Application

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).
In the determination of analyte composition in commercial samples by HPLC coupled to mass spectrometry (MS).

Chiral additive in liquid chromatography for enantiomer resolution. Chiral separation of basic drug substances by capillary electrophoresis.

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Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Characterization of Crystalline Complexes between Heptakis (2, 3, 6-tri-O-methyl)-beta-cyclodextrin and Various Alkanes or Alkenes (5? C? 10)?

Cardinael P, et al.

Journal of Inclusion Phenomena and Macrocyclic Chemistry, 39(1-2), 159-167 (2001)

Consequences of variable purity of heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin determined by liquid chromatography-mass spectrometry on the enantioselective separation of polychlorinated compounds.

A Jaus et al.

Journal of chromatography. A, 905(1-2), 59-67 (2001-02-24)

The composition of 10 batches of heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin (PM-CD) from different suppliers was determined by high-performance liquid chromatography combined with atmospheric pressure chemical ionisation mass spectrometry (MS). Considerable differences were found. Some batches consisted of more than 95% pure PM-CD, whereas

Interaction of heptakis (2,3,6-tri-O-methyl)-beta-cyclodextrin with cholesterol in aqueous solution.

Juziro Nishijo et al.

Chemical & pharmaceutical bulletin, 52(12), 1405-1410 (2004-12-04)

The interaction of cholesterol with heptakis (2,3,6-tri-O-methyl)-beta-cyclodextrin (TOM-beta-CyD) was investigated in water using solubility method. It was found that TOM-beta-CyD forms two kinds of soluble complexes, with molar ratios of 1:1 and 1:2 (cholesterol:TOM-beta-CyD). The thermodynamic parameters for 1:1 and

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Global Trade Item Number

SKU	GTIN
569283-1G	04061825767260
569283-5G	04061832101088
51707-5G	04061833355657
51707-1G	04061826664599