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

SIAL/51707 - ≥98.0%

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

CAS Number: 55216-11-0
Empirical Formula (Hill Notation): C₆₃H₁₁₂O₃₅
Molecular Weight: 1429.54
MDL Number: MFCD00010728
Linear Formula: C₆₃H₁₁₂O₃₅
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-51707-1G	1 g	$235.00 1/EA	Add To Favorites
45-51707-5G	5 g	$941.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	≥98.0%
	≥98.0% (TLC)
form	powder or crystals
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
mp	170-178 °C (lit.)
optical activity	[α]25/D +157±4°, c = 1% in H₂O
Quality Level	100
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
solubility	H₂O: 50 mg/mL, slightly turbid, colorless
storage temp.	2-8°C

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

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	≥98.0% (TLC); ≥98.0%
mp	170-178 °C (lit.)
Storage Temp.	2-8°C
UNSPSC	12352005

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