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128446-36-6

Basic Information
CAS No.: 128446-36-6
Name: beta-Cyclodextrin methyl ethers
Molecular Structure:
Molecular Structure of 128446-36-6 (beta-Cyclodextrin methyl ethers)
Formula: C56H98O35
Molecular Weight: 1331.36
Synonyms: Methyl-beta-cyclodextrin;Dimethyl-β-Cyclodextrin;
EINECS: 1308068-626-2
Density: 1.4 g/cm3
Melting Point: 180-182 °C(lit.)
Boiling Point: 1206.9±65.0 °C at 760 mmHg
Flash Point: 683.7±34.3 °C
Solubility: Soluble in water
Appearance: white to off-powder
Safety: 22-24/25
PSA: 422.05000
LogP: -7.38140
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    CAS No. 128446-36-6 Molecular formula C54H94O35 Molecular weight 1303.3 Appearance White Powder, Non-toxic, Odorless, Sweet

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  • beta-Cyclodextrin methyl ethers CAS128446-36-6

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Specification

The beta-Cyclodextrin methyl ethers, with the CAS registry number 128446-36-6, is also known as Methyl-beta-cyclodextrin. It belongs to the product categories of Biochemistry; Cyclodextrins; Functional Materials; Macrocycles for Host-Guest Chemistry; Oligosaccharides; Sugars; Carbohydrates; Carbohydrates A to; Carbohydrates M-O Synthetic Reagents; Polysaccharide; Chelation/Complexation Compounds; Synthetic Reagents; Cell Signaling and Neuroscience; Cyclodextrins Cell Culture; Cyclodextrins Synthetic Reagents; Lipids and Lipid Carriers; Reagents and Supplements; Signal Transduction Research Tools. This chemical's molecular formula is C56H98O35 and molecular weight is 1331.36. What's more, its systematic name is (1S,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,
26R,28R,30R,31S,33R,35R,36R,37S,38R,39S,40R,41S,42R,43S,44R,45S,46R,47S,48R,49S)-5,10,15,20,25,30,35-Heptakis(hydroxymethyl)-37,39,40,41,42,43,4 4,45,46,47,48,49-dodecamethoxy-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-36,38-diol. Its classification codes are: (1)TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]; (2)TSCA UVCB. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices. You should not breathe dust. When using it, you must avoid contact with eyes.

Physical properties of beta-Cyclodextrin methyl ethers are: (1)ACD/LogP: 6.95±1.00; (2)# of Rule of 5 Violations: 4; (3)#H bond acceptors: 35; (4)#H bond donors: 9; (5)#Freely Rotating Bonds: 28; (6)Polar Surface Area: 422.05 Å2; (7)Index of Refraction: 1.567; (8)Molar Refractivity: 294.1±0.4 cm3; (9)Molar Volume: 900.4±5.0 cm3; (10)Polarizability: 116.6±0.5×10-24cm3; (11)Surface Tension: 66.2±5.0 dyne/cm; (12)Density: 1.4±0.1 g/cm3; (13)Flash Point: 683.7±34.3 °C; (14)Enthalpy of Vaporization: 202.2±6.0 kJ/mol; (15)Boiling Point: 1206.9±65.0 °C at 760 mmHg; (16)Vapour Pressure: 0.0±0.6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CO[C@H]1[C@@H]([C@H]2[C@H](O[C@@H]1O[C@@H]3[C@H](O[C@@H]([C@H]([C@@H]3OC)OC)O[C@@H]4[C@H](O[C@@H]([C@H]([C@@H]4OC)OC)O[C@@H]5[C@H](O[C@@H]([C@H]([C@@H]5OC)OC)O[C@@H]6[C@H](O[C@@H]([C@H]([C@@H]6OC)OC)O[C@@H]7[C@H](O[C@@H]([C@H]([C@@H]7OC)OC)O[C@@H]8[C@H](O[C@H](O2)[C@H]([C@@H]8O)OC)CO)CO)CO)CO)CO)CO)CO)O
(2)Std. InChI: InChI=1S/C54H94O35/c1-64-36-28(63)30-21(14-56)76-48(36)83-29-20(13-55)77-49(37(65-2)27(29)62)85-31-22(15-57)79-51(44(72-9)38(31)66-3)87-33-24(17-59)81-53(46(74-11)40(33)68-5)89-35-26(19-61)82-54(47(75-12)42(35)70-7)88-34-25(18-60)80-52(45(73-10)41(34)69-6)86-32-23(16-58)78-50(84-30)43(71-8)39(32)67-4/h20-63H,13-19H2,1-12H3/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,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-/m1/s1
(3)Std. InChIKey: YZOUYRAONFXZSI-SBHWVFSVSA-N