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Name	Betadex	EINECS	231-493-2
CAS No.	68168-23-0	Density	1.624 g/cm³
PSA	554.05000	LogP	-15.23060
Solubility	Water: 18.5 g/L (25 °C)	Melting Point	298-300 °C
Formula	C₄₂H₇₀O₃₅	Boiling Point	1541.179 °C at 760 mmHg
Molecular Weight	1134.98	Flash Point	885.873 °C
Transport Information	N/A	Appearance	White crystalline powder
Safety	24/25	Risk Codes	R36/37/38
Molecular Structure		Hazard Symbols	N/A
Synonyms	beta-Cyclodextrin hydrate;beta-Cycloamylose;beta-Cyclodextrin;(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-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 (non-preferred name);b-Cycloamylose;

Betadex Specification

The Betadex with CAS registry number of 68168-23-0 is also known as b-Cycloamylose. The systematic name is (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-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 (non-preferred name). Its EINECS registry number is 231-493-2. In addition, the formula is C₄₂H₇₀O₃₅ and the molecular weight is 1134.98. This chemical is a white crystalline powder that soluble in water. It can be used for organic synthesis and also used as pharmaceutical excipient, food additive. During using it, avoid contact with skin and eyes.

Physical properties about avoid contact with skin and eyes are: (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)Index of Refraction: 1.591; (11)Molar Refractivity: 236.118 cm³; (12)Molar Volume: 698.755 cm³; (13)Surface Tension: 73.866 dyne/cm; (14)Density: 1.624 g/cm³; (15)Flash Point: 885.873 °C; (16)Enthalpy of Vaporization: 267.98 kJ/mol; (17)Boiling Point: 1541.179 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25 °C.

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. Std. InChI:InChI=1S/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. Std. InChIKey:WHGYBXFWUBPSRW-FOUAGVGXSA-N

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