CAS No.7585-39-9,Beta-cyclodextrin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	7585-39-9
Name:	Beta-cyclodextrin
Article Data:	79
Cas Database

Formula:	C₄₂H₇₀O₃₅
Molecular Weight:	1135
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;
EINECS:	231-493-2
Density:	1.624 g/cm3
Melting Point:	298-300 °C
Boiling Point:	1578.5oC at 760 mmHg
Flash Point:	908.5oC
Solubility:	18.5 g/L (25 °C) in water
Appearance:	white powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
Transport Information:	N/A
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;

Raw Materials

97-30-3

Downstream Products

983-79-9

103-30-0

729-43-1

451-40-1

129499-78-1

585-34-2

1481-92-1

34620-77-4

Total:199 Page 1 of 6 1 2 3 4 5 6 Next>>

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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.