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Name |
beta-Cyclodextrin |
EINECS | 231-493-2 |
CAS No. | 7585-39-9 | Density | 1.624 g/cm3 |
PSA | 554.05000 | LogP | -15.23060 |
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 | N/A | 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; |
Article Data | 79 |
β‐cyclodextrin
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In tetrahydrofuran; water regioselective reaction; | 100% |
mono-6-deoxy-6-(p-tolylsulphonyl)-β-cyclodextrin
A
Mono-3A,6A-anhydrocyclomaltoheptaose
B
β‐cyclodextrin
Conditions | Yield |
---|---|
With sodium hydroxide In water at 40℃; for 11h; | A 87.9% B 8.2% |
mono-6-deoxy-6-formyl-β-cyclodextrin
β‐cyclodextrin
Conditions | Yield |
---|---|
With sodium tetrahydroborate In water for 24h; Ambient temperature; | 72% |
With sodium tetrahydroborate In methanol; water for 1h; |
mono-6-deoxy-6-(p-tolylsulphonyl)-β-cyclodextrin
A
6(I)-amino-6(I)-deoxycyclomaltoheptaose
B
β‐cyclodextrin
Conditions | Yield |
---|---|
With ammonia In water at 60℃; for 5h; Product distribution / selectivity; | A 70% B 30% |
Conditions | Yield |
---|---|
In water-d2 at 30℃; Equilibrium constant; Thermodynamic data; other temperatures; free energy of activation at 70 deg C; |
Conditions | Yield |
---|---|
With acetate buffer at 37℃; Rate constant; dissociation constant and catalyzed rate constant of the inclusion complex is determined; |
C42H70O35*C12H14N2
A
β‐cyclodextrin
B
1,1'-dimethyl-1,1'-dihydro-4,4'-bipyridyl
Conditions | Yield |
---|---|
In water at 25℃; Equilibrium constant; |
Conditions | Yield |
---|---|
With isoamylase Product distribution; hydrolysis; |
prostacyclin*β-cyclodextrin
A
7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(S)-3-hydroxy-oct-1-enyl)-cyclopentyl]-6-oxo-heptanoic acid
B
β‐cyclodextrin
Conditions | Yield |
---|---|
With phosphate buffer (pH=ca. 7); water at 10 - 30℃; Thermodynamic data; Kinetics; activation parameters: ΔS(excit.), ΔG(excit.), E investigated; |
Conditions | Yield |
---|---|
With phosphate buffer (pH=ca. 7); water at 10 - 30℃; Thermodynamic data; Kinetics; activation parameters: ΔS(excit.), ΔG(excit.), E investigated; |
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) | Effect | 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. |