beta-Cyclodextrin supplier | CasNO.7585-39-9

Name
Beta-cyclodextrin
EINECS 231-493-2
CAS No. 7585-39-9
Article Data79
CAS DataBase
Density 1.624 g/cm3
Solubility 18.5 g/L (25 °C) in water
Melting Point 298-300 °C
Formula C₄₂H₇₀O₃₅
Boiling Point 1578.5oC at 760 mmHg
Molecular Weight 1135
Flash Point 908.5oC
Transport Information
Appearance white powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Schardinger b-dextrin;Stereoisomer of5,10,15,20,25,30,35-heptakis(hydroxymethyl)-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-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;beta-Cycloheptaamylose;β-Cyclodextrin;beta cyclodextrin;Cycloheptaamylose(7CI);BW 7;BW 7(polysaccharide);Betadex;Cavatex W 7MCT;Celdex B100H;Celdex B 100z;Cibatex OC-CLD;Cycloheptaglucan;Cycloheptaglucosan;Dextrin, b-cyclo;Dexy Pearl 100;Kleptose;NSC 269471;NSC 314334;Rindex B;Ringdex B;RingdexBL;
PSA 554.05000
LogP -15.23060

Synthetic route

: 6A,6B,6D,6E-tetradeoxy-2A,2B,2C,2D,2E,2F,2G,3A,3B,3C,3D,3E,3F,3G,6C,6F,6G-heptadeca-O-benzyl-β-cyclodextrin

: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In tetrahydrofuran; water regioselective reaction;	100%

: 67217-55-4
mono-6-deoxy-6-(p-tolylsulphonyl)-β-cyclodextrin

A: 104867-20-1
Mono-3A,6A-anhydrocyclomaltoheptaose

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
With sodium hydroxide In water at 40℃; for 11h;	A 87.9% B 8.2%

: 159496-21-6
mono-6-deoxy-6-formyl-β-cyclodextrin

: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
With sodium tetrahydroborate In water for 24h; Ambient temperature;	72%
With sodium tetrahydroborate In methanol; water for 1h;

: 67217-55-4
mono-6-deoxy-6-(p-tolylsulphonyl)-β-cyclodextrin

A: 29390-67-8
6(I)-amino-6(I)-deoxycyclomaltoheptaose

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
With ammonia In water at 60℃; for 5h; Product distribution / selectivity;	A 70% B 30%

: 141484-64-2
C42H70O35*C37H47N3(2+)*2Br(1-)

A: 141484-62-0
C37H47N3(2+)*2Br(1-)

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
In water-d2 at 30℃; Equilibrium constant; Thermodynamic data; other temperatures; free energy of activation at 70 deg C;

: C42H70O35*C6H13N3OS

A: 95598-14-4
3-t-butyl-1-methyl-1-nitrosothiourea

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
With acetate buffer at 37℃; Rate constant; dissociation constant and catalyzed rate constant of the inclusion complex is determined;

: 114987-36-9
C42H70O35*C12H14N2

A: 7585-39-9
β‐cyclodextrin

B: 25128-26-1
1,1'-dimethyl-1,1'-dihydro-4,4'-bipyridyl

Conditions

Conditions	Yield
In water at 25℃; Equilibrium constant;

: 104723-62-8
6-O-α-D-maltotriosyl-β-cyclodextrin

A: 6401-81-6, 17659-52-8, 19141-16-3, 20702-55-0, 52485-13-9, 69429-19-2, 80446-86-2, 80446-87-3, 94799-30-1, 94799-74-3, 113158-51-3, 118396-93-3, 121153-20-6, 133267-59-1, 1109-28-0, 142185-35-1
maltotriose

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
With isoamylase Product distribution; hydrolysis;

: 77164-53-5
prostacyclin*β-cyclodextrin

A: 58962-34-8
7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(S)-3-hydroxy-oct-1-enyl)-cyclopentyl]-6-oxo-heptanoic acid

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
With phosphate buffer (pH=ca. 7); water at 10 - 30℃; Thermodynamic data; Kinetics; activation parameters: ΔS(excit.), ΔG(excit.), E investigated;

: 69377-76-0
C42H70O35*C21H34O5

A: 63557-55-1
6-keto-PGF1α methyl ester

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
With phosphate buffer (pH=ca. 7); water at 10 - 30℃; Thermodynamic data; Kinetics; activation parameters: ΔS(excit.), ΔG(excit.), E investigated;

: 80800-15-3
C42H70O35*C15H17BrNO(1+)*Br(1-)

A: 80214-62-6
trimethylammonium bromide

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
With Co(NH3)6 at 25℃; Rate constant; Equilibrium constant; host-guest complexation of cyclodextrins with detergents, photoluminescence study;

: 80800-16-4
C42H70O35*C19H25BrNO(1+)*Br(1-)

A: 79671-16-2
trimethylammonium bromide

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
With Co(NH3)6 at 25℃; Rate constant; Equilibrium constant; host-guest complexation of cyclodextrins with detergents, photoluminescence study;

: 80822-21-5
C42H70O35*C24H35BrNO(1+)*Br(1-)

A: 79671-17-3
trimethylammonium bromide

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
With Co(NH3)6 at 25℃; Rate constant; Equilibrium constant; host-guest complexation of cyclodextrins with detergents, photoluminescence study;

: 112269-47-3
6-O-α-(62-O-α-maltotriosyl)maltotriosyl-cG7

A: 6401-81-6, 17659-52-8, 19141-16-3, 20702-55-0, 52485-13-9, 69429-19-2, 80446-86-2, 80446-87-3, 94799-30-1, 94799-74-3, 113158-51-3, 118396-93-3, 121153-20-6, 133267-59-1, 1109-28-0, 142185-35-1
maltotriose

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
In water Product distribution; isoamylolysis;

: 112240-48-9
6A,6D-di-O-α-maltotriosyl-cG7

A: 6401-81-6, 17659-52-8, 19141-16-3, 20702-55-0, 52485-13-9, 69429-19-2, 80446-86-2, 80446-87-3, 94799-30-1, 94799-74-3, 113158-51-3, 118396-93-3, 121153-20-6, 133267-59-1, 1109-28-0, 142185-35-1
maltotriose

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
In water Product distribution; isoamylolysis;

: 112269-46-2
6-O-α-(63-O-α-maltotriosyl)maltotriosyl-cG7

A: 6401-81-6, 17659-52-8, 19141-16-3, 20702-55-0, 52485-13-9, 69429-19-2, 80446-86-2, 80446-87-3, 94799-30-1, 94799-74-3, 113158-51-3, 118396-93-3, 121153-20-6, 133267-59-1, 1109-28-0, 142185-35-1
maltotriose

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
In water Product distribution; isoamylolysis;

: C42H70O35*C6H15NO3

A: 102-71-6
triethanolamine

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
In water at 25℃; Equilibrium constant; further temperatures;

: C42H70O35*C20H15O2(1-)*Na(1+)

A: 63442-80-8
sodium 4-pyren-1-ylbutyrate

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
In water at 25℃; Equilibrium constant; Thermodynamic data; quenching by triethanolamine, ΔH(excit), ΔS(excit), further temperatures;

: 2C42H70O35*C20H15O2(1-)*Na(1+)

A: C42H70O35*C20H15O2(1-)*Na(1+)

B: 7585-39-9
β‐cyclodextrin

Conditions

Conditions	Yield
In water at 25℃; Equilibrium constant; Thermodynamic data; quenching by triethanolamine, ΔH(excit), ΔS(excit), further temperatures;

: 7585-39-9
β‐cyclodextrin

: 53784-83-1
heptakis(6-bromo-6-deoxy)-β-cyclodextrin

Conditions

Conditions	Yield
With bromine; triphenylphosphine In N,N-dimethyl-formamide at 0 - 80℃; for 15h;	100%
With tetraethylammonium bromide; 4-pyrrolidin-1-ylpyridine; ethanaminium,N-(difluoro-λ4-sulfanylidene)-N-ethyl-,tetrafluoroborate In N,N-dimethyl-formamide at 20℃; regioselective reaction;	97%
With bromine; triphenylphosphine In N,N-dimethyl-formamide at 75 - 80℃;	95%

: 106-95-6
allyl bromide

: 7585-39-9
β‐cyclodextrin

: 141126-40-1
heptakis(2,3,6-tri-O-allyl)-β-cyclodextrin

Conditions

Conditions	Yield
Stage #1: β‐cyclodextrin With sodium hydride In N,N-dimethyl-formamide at 60℃; for 2.5h; Stage #2: allyl bromide In N,N-dimethyl-formamide at 60℃; for 16h; Further stages.;	100%
Stage #1: β‐cyclodextrin With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 5℃; for 1h; Stage #2: allyl bromide In N,N-dimethyl-formamide; mineral oil at 0 - 20℃;	98%
Stage #1: β‐cyclodextrin With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.5h; Inert atmosphere; Stage #2: allyl bromide In N,N-dimethyl-formamide; mineral oil at 20℃; Inert atmosphere;	88%
With sodium hydride In N,N-dimethyl-formamide at 20 - 23℃; for 13h;	49%

: 471-84-1, 2623-54-3, 7378-37-2, 116724-26-6
fenchene

: 7585-39-9
β‐cyclodextrin

: β-CD-fenchene

Conditions

Conditions	Yield
Stage #1: fenchene; β‐cyclodextrin In 1,4-dioxane; water at 20℃; for 0.25h; Stage #2: In water at 20 - 75℃;	100%

: C23H28B10N4OPt(2+)*2NO3(1-)

: 7585-39-9
β‐cyclodextrin

: C23H28B10N4OPt(2+)*2NO3(1-)*C42H70O35

Conditions

Conditions	Yield
In water for 0.5h; Sonication;	100%

: C23H28B10N4OPt(2+)*2NO3(1-)

: 7585-39-9
β‐cyclodextrin

: C23H28B10N4OPt(2+)*2NO3(1-)*C42H70O35

Conditions

Conditions	Yield
In water for 0.5h; Sonication;	100%

: C23H28B10N4OPt(2+)*2NO3(1-)

: 7585-39-9
β‐cyclodextrin

: C23H28B10N4OPt(2+)*2NO3(1-)*C42H70O35

Conditions

Conditions	Yield
In water for 0.5h; Sonication;	100%

: C23H28B10N4OPt(2+)*2NO3(1-)

: 7585-39-9
β‐cyclodextrin

: C23H28B10N4OPt(2+)*2NO3(1-)*C42H70O35

Conditions

Conditions	Yield
In water for 0.5h; Sonication;	100%

: C23H28B10N4OPt(2+)*2NO3(1-)

: 7585-39-9
β‐cyclodextrin

: C23H28B10N4OPt(2+)*2NO3(1-)*C42H70O35

Conditions

Conditions	Yield
In water for 0.5h; Sonication;	100%

: C23H28B10N4OPt(2+)*2NO3(1-)

: 7585-39-9
β‐cyclodextrin

: C23H28B10N4OPt(2+)*2NO3(1-)*C42H70O35

Conditions

Conditions	Yield
In water for 0.5h; Sonication;	100%

: C23H28B10N4OPt(2+)*2NO3(1-)

: 7585-39-9
β‐cyclodextrin

: C23H28B10N4OPt(2+)*2NO3(1-)*C42H70O35

Conditions

Conditions	Yield
In water for 0.5h; Sonication;	100%

: [Pt((S)-(1,7-closo-carboran-1-yl)pyrid-3-ylmethanol)2(1,10-phenanthroline)](NO3)2

: 7585-39-9
β‐cyclodextrin

: [Pt((S)-(1,7-closo-carboran-1-yl)pyrid-3-ylmethanol)2(1,10-phenanthroline)(β-cyclodextrin)2](NO3)2

Conditions

Conditions	Yield
In water for 0.5h; Sonication;	100%

: [Pt((S)-(1,12-closo-carboran-1-yl)pyrid-4-ylmethanol)2(1,10-phenanthroline)](NO3)2

: 7585-39-9
β‐cyclodextrin

: [Pt((S)-(1,12-closo-carboran-1-yl)pyrid-4-ylmethanol)2(1,10-phenanthroline)(β-cyclodextrin)2](NO3)2

Conditions

Conditions	Yield
In water for 0.5h; Sonication;	100%

: [Pt((R)-(1,7-closo-carboran-1-yl)pyrid-4-ylmethanol)2(1,10-phenanthroline)](NO3)2

: 7585-39-9
β‐cyclodextrin

: [Pt((R)-(1,7-closo-carboran-1-yl)pyrid-4-ylmethanol)2(1,10-phenanthroline)(β-cyclodextrin)2](NO3)2

Conditions

Conditions	Yield
In water for 0.5h; Sonication;	100%

: [Pt((S)-(1,7-closo-carboran-1-yl)pyrid-4-ylmethanol)2(1,10-phenanthroline)](NO3)2

: 7585-39-9
β‐cyclodextrin

: [Pt((S)-(1,7-closo-carboran-1-yl)pyrid-4-ylmethanol)2(1,10-phenanthroline)(β-cyclodextrin)2](NO3)2

Conditions

Conditions	Yield
In water for 0.5h; Sonication;	100%

: [Pt((R)-(1,7-closo-carboran-1-yl)pyrid-3-ylmethanol)2(1,10-phenanthroline)](NO3)2

: 7585-39-9
β‐cyclodextrin

: [Pt((R)-(1,7-closo-carboran-1-yl)pyrid-3-ylmethanol)2(1,10-phenanthroline)(β-cyclodextrin)2](NO3)2

Conditions

Conditions	Yield
In water for 0.5h; Sonication;	100%

: 100-44-7
benzyl chloride

: 7585-39-9
β‐cyclodextrin

: 129318-82-7, 130322-65-5, 130322-67-7
2,3,6-Tri-O-benzyl-β-cyclomaltoheptaose

Conditions

Conditions	Yield
With sodium hydride In dimethyl sulfoxide at 20℃; for 22h; Inert atmosphere; Schlenk technique;	99%
With sodium hydride In dimethyl sulfoxide; mineral oil at 20℃; Inert atmosphere;	96%
With sodium hydride In dimethyl sulfoxide	95%

: 542-28-9
3,4,5,6-tetrahydro-2H-pyran-2-one

: 7585-39-9
β‐cyclodextrin

polymer; monomer(s): β-cyclodextrin; δ-valerolactone: polymer; monomer(s): β-cyclodextrin; δ-valerolactone

Conditions

Conditions	Yield
at 100℃; for 48h;	98%

: 108-24-7
acetic anhydride

: 7585-39-9
β‐cyclodextrin

: per-O-acetylated β-cyclodextrin

Conditions

Conditions	Yield
With copper(II) perchlorate hexahydrate In neat (no solvent) at 20℃; for 0.25h; Inert atmosphere;	98%

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 7585-39-9
β‐cyclodextrin

: heptakis(2,6-di-O-trimethylsilyl)cyclomaltoheptaose

Conditions

Conditions	Yield
With trimethylsilyl trifluoromethanesulfonate In dichloromethane at 20℃; for 0.25h; Inert atmosphere; regioselective reaction;	97%
With iodine at 20℃; Neat (no solvent); Air atmosphere;	96%

: C20H20N2*2ClH

: 1427351-20-9
ClH*C17H16N4

: 80262-44-8
cucurbituril

: 7585-39-9
β‐cyclodextrin

: C54H52N10*C42H70O35*2C36H36N24O12*4ClH

Conditions

Conditions	Yield
In water at 60℃; for 0.5h; Huisgen Cycloaddition;	97%

...Expand

: 2CBP·2Cl

: N-(3,5-dimethoxybenzyl)propargylammonium chloride

: 80262-44-8
cucurbituril

: 7585-39-9
β‐cyclodextrin

: C42H52N10O4*4ClH*C42H70O35*2C36H36N24O12

Conditions

Conditions	Yield
In water at 20℃; for 1h;	97%

...Expand

: 1-(2-ethoxyethyl)-4-(pentyn-1-yl)-4-benzoyloxypiperidine oxalate

: 7585-39-9
β‐cyclodextrin

: C42H70O35*C21H29NO3*C2H2O4

Conditions

Conditions	Yield
In ethanol; water	97%

: 65277-42-1, 72093-26-6, 79156-75-5, 83374-59-8, 142128-57-2, 142128-58-3, 142128-59-4, 142128-60-7
ketoconazole

: 7585-39-9
β‐cyclodextrin

: C26H28Cl2N4O4*C42H70O35

Conditions

Conditions	Yield
In ethanol; water at 25℃;	96.3%

: 4-(cyclopropylethynyl)-1-(2-ethoxyethyl)-4-(propionyloxy)piperidine

: 7585-39-9
β‐cyclodextrin

: β-cyclodextrin

Conditions

Conditions	Yield
In ethanol; water at 50 - 55℃;	96.3%

: 18162-48-6
tert-butyldimethylsilyl chloride

: 7585-39-9
β‐cyclodextrin

: 123155-03-3
heptakis(6-O-tert-butyldimethylsilyl)-β-cyclodextrin

Conditions

Conditions	Yield
With pyridine at 20℃; for 18.6667h; Inert atmosphere;	96%
With pyridine 1) ice bath, 6.5 h; 2) 18 h, rt;	95%
With pyridine	90%

: 108-24-7
acetic anhydride

: 7585-39-9
β‐cyclodextrin

: 23739-88-0
peracetylated β-cyclodextrin

Conditions

Conditions	Yield
With iodine at 20℃; for 24h; neat (no solvent);	96%
With 1,4-diaza-bicyclo[2.2.2]octane at 55℃; for 4.5h; Neat (no solvent);	96%
With lithium perchlorate for 50h; Heating;	93%

beta-Cyclodextrin Specification

The beta-Cyclodextrin, with the CAS registry number 7585-39-9, has the systematic name Cycloheptapentylose. Its molecular formula is C₄₂H₇₀O₃₅ and its classification codes are Carcinogens; Food additives; Noxae; Pharmaceutic aid [sequestering agent]; Reproductive Effect. Moreover, it belongs to the product categories Industrial / Fine Chemicals; Biochemistry; Cyclodextrins; Functional Materials; Macrocycles for Host-Guest Chemistry; Oligosaccharides; Sugars; Dextrins、Sugar & Carbohydrates; Cosmetic Ingredients & Chemicals.

Other characteristics of the beta-Cyclodextrin can be summarised as followings: (1)ACD/LogP: -13.96; (2)# of Rule of 5 Violations: 3; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 35; (8)#H bond donors: 21; (9)#Freely Rotating Bonds: 28; (10)Polar Surface Area: 554.05 Å²; (11)Index of Refraction: 1.591; (12)Molar Refractivity: 236.118 cm³; (13)Molar Volume: 698.755 cm³; (14)Polarizability: 93.605×10-²⁴cm³; (15)Surface Tension: 73.866 dyne/cm; (16)Density: 1.624 g/cm³; (17)Flash Point: 885.873 °C; (18)Enthalpy of Vaporization: 267.98 kJ/mol; (19)Boiling Point: 1541.179 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O
2.InChI: InChI=1/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1
3.InChIKey: WHGYBXFWUBPSRW-FOUAGVGXBA

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	330mg/kg (330mg/kg)	"Proceedings of the International Symposium on Cyclodextrins, 1st, 1981," Szejtli, J., ed., Hingham, MA, Kluwer Academic Pub., 1982Vol. 1, Pg. 109, 1982.
mouse	LD50	oral	> 12500mg/kg (12500mg/kg)	Pesticide Science. Vol. 11, Pg. 134, 1980.
mouse	LD50	subcutaneous	412mg/kg (412mg/kg)	"Proceedings of the International Symposium on Cyclodextrins, 1st, 1981," Szejtli, J., ed., Hingham, MA, Kluwer Academic Pub., 1982Vol. 1, Pg. 109, 1982.
rat	LD50	intraperitoneal	356mg/kg (356mg/kg)	"Proceedings of the International Symposium on Cyclodextrins, 1st, 1981," Szejtli, J., ed., Hingham, MA, Kluwer Academic Pub., 1982Vol. 1, Pg. 109, 1982.
rat	LD50	intravenous	1008mg/kg (1008mg/kg)	American Journal of Pathology. Vol. 83, Pg. 367, 1976.
rat	LD50	oral	18800mg/kg (18800mg/kg)	Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 287, 1983.
rat	LD50	subcutaneous	3700mg/kg (3700mg/kg)	Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 287, 1983.

Product Name

Beta-cyclodextrin

Synthetic route

beta-Cyclodextrin Specification

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