CAS No.10016-20-3,Cyclohexapentylose Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10016-20-3
Name:	Cyclohexapentylose
Article Data:	43

Formula:	C₃₆H₆₀O₃₀
Molecular Weight:	972.854
Synonyms:	Cyclomaltohexose;Dextrin, a-cyclo;Dexy Pearl a-100;Isoeleat K 50;NSC 269470;Ringdex A;Stereoisomer of 5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol;a-Cycloamylose;a-Dextrin;a-Schardinger dextrin;Cyclohexaamylose(6CI);Alfadex;Cavamax W 6;Cavamax W 6 Food;Celdex A 100;Cyclohexadextrin;
EINECS:	233-007-4
Density:	1.624 g/cm³
Melting Point:	>278 °C (dec.)(lit.)
Boiling Point:	1410.8 °C at 760 mmHg
Flash Point:	807.1 °C
Solubility:	H₂O: 50 mg/mL
Appearance:	White crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36-36/37/38
Safety:	26-36
PSA:	474.90000
LogP:	-13.05480

Synthetic route

: 2I,3I,2II,3II,2III,3III,2IV,3IV,2V,3V,2VI,3VI-dodeca-O-benzyl-maltocyclohexaose

: 10016-20-3
alpha cyclodextrin

Conditions

Conditions	Yield
With hydrogen; palladium dihydroxide In methanol; water at 20℃; for 12h;	100%

: 2106-10-7
1-deoxy-1-fluoro-α-D-glucose

A: 7585-39-9
β‐cyclodextrin

B: 10016-20-3
alpha cyclodextrin

Conditions

Conditions	Yield
With sodium hydroxide; cyclodextrin-α(1-4)glucosyltransferase In water at 45℃; for 0.333333h; pH=6.0, sodium acetate buffer;	A 38% B 30%

: 64887-49-6
α-cyclodextrin-Methyl Orange complex

A: 547-58-0
methyl orange

B: 10016-20-3
alpha cyclodextrin

Conditions

Conditions	Yield
In water at 25℃; Equilibrium constant;
In methanol; water at 25℃; Equilibrium constant;
In water; dimethyl sulfoxide at 25℃; Equilibrium constant;

: C36H60O30*C9H7NO6

A: 1210-97-5
4-(acetyloxy)-3-nitrobenzoic acid

B: 10016-20-3
alpha cyclodextrin

Conditions

Conditions	Yield
With phosphate buffer at 25℃; Equilibrium constant;

: C36H60O30*C11H11NO6

A: 56003-42-0
4-carboxy-2-nitrophenyl butanoate

B: 10016-20-3
alpha cyclodextrin

Conditions

Conditions	Yield
With phosphate buffer at 25℃; Equilibrium constant;

: 2C36H60O30*C11H11NO6

A: C36H60O30*C11H11NO6

B: 10016-20-3
alpha cyclodextrin

Conditions

Conditions	Yield
With phosphate buffer at 25℃; Equilibrium constant;

: 2C36H60O30*C13H15NO6

A: C36H60O30*C13H15NO6

B: 10016-20-3
alpha cyclodextrin

Conditions

Conditions	Yield
With phosphate buffer at 25℃; Equilibrium constant;

: C36H60O30*C13H15NO6

A: 65293-27-8
3-nitro-4-hexanoyloxybenzoic acid

B: 10016-20-3
alpha cyclodextrin

Conditions

Conditions	Yield
With phosphate buffer at 25℃; Equilibrium constant;

: C36H60O30*C14H17NO6

A: 43049-38-3
4-carboxy-2-nitrophenyl heptanoate

B: 10016-20-3
alpha cyclodextrin

Conditions

Conditions	Yield
With phosphate buffer at 25℃; Equilibrium constant;

: 2C36H60O30*C14H17NO6

A: C36H60O30*C14H17NO6

B: 10016-20-3
alpha cyclodextrin

Conditions

Conditions	Yield
With phosphate buffer at 25℃; Equilibrium constant;

Raw Materials

Downstream Products

59-30-3

154-58-5

Total:180 Page 1 of 5 1 2 3 4 5 Next>>

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History

CYCLODEXTRINS, as they are known today, were called "cellulosine" when first described by A. Villiers in 1891. Soon after, F. Schardinger identified the three naturally occurring cyclodextrins -α, -β, and -γ. These compounds were therefore referred to as "Schardinger sugars". For 25 years, between 1911 and 1935, Pringsheim in Germany was the leading researcher in this area, demonstrating that cyclodextrins formed stable aqueous complexes with many other chemicals. By the mid 1970's, each of the natural cyclodextrins had been structurally and chemically characterized and many more complexes had been studied. Since the 1970s, extensive work has been conducted by Szejtli and others exploring encapsulation by cyclodextrins and their derivatives for industrial and pharmacologic applications. Among the processes used for complexation, the kneading process seems to be one of the best.

Specification

The Cyclodextrin is an organic compound with the formula C₃₆H₆₀O₃₀. The systematic name of this chemical is (1S, 3R, 5R, 6S, 8R, 10R, 11S, 13R, 15R, 16S, 18R, 20R, 21S, 23R, 25R, 26S, 28R, 30R, 31R, 32R, 33R, 34R, 35R, 36R, 37R, 38R, 39R, 40R, 41R, 42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxahe ptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol (non-preferred name). With the CAS registry number 10016-20-3, it is also named as a-Schardinger Dextrin. The product's categories are Industrial/Fine Chemicals; Biochemistry; Cyclodextrins; Functional Materials; Macrocycles for Host-Guest Chemistry; Oligosaccharides; Sugars; Dextrins, Sugar & Carbohydrates. Besides, it is a white crystalline powder, which should be stored in a closed and dry palce.

In the food industry cyclodextrins are employed for the preparation of cholesterol free products. Other food applications further include the ability to stabilize volatile or unstable compounds and the reduction of unwanted tastes and odour. Reportedly cyclodextrins are used in alcohol powder, a powder for mixing alcoholic drinks.

Physical properties about Cyclodextrin are: (1)# of Rule of 5 Violations: 3; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 30; (7)#H bond donors: 18; (8)#Freely Rotating Bonds: 24; (9)Polar Surface Area: 474.9 Å²; (10)Index of Refraction: 1.591; (11)Molar Refractivity: 202.387 cm³; (12)Molar Volume: 598.936 cm³; (13)Polarizability: 80.232×10^-24cm³; (14)Surface Tension: 73.864 dyne/cm; (15)Density: 1.624 g/cm³; (16)Flash Point: 807.051 °C; (17)Enthalpy of Vaporization: 241.394 kJ/mol; (18)Boiling Point: 1410.846 °C at 760 mmHg.

Uses of Cyclodextrin: it can be used to produce hexakis(6-deoxy-6-iodo)cyclomaltohexaose at temperature of 80 °C. It will need reagent iod, triphenylphosφne and solvent dimethylformamide with reaction time of 15 hours. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact 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](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O
(2)InChI: InChI=1/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,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-/m1/s1
(3)InChIKey: HFHDHCJBZVLPGP-RWMJIURBBY
(4)Std. InChI: InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,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-/m1/s1
(5)Std. InChIKey: HFHDHCJBZVLPGP-RWMJIURBSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	1gm/kg (1000mg/kg)		Oyo Yakuri. Pharmacometrics. Vol. 26, Pg. 287, 1983.
rat	LD50	intravenous	788mg/kg (788mg/kg)		American Journal of Pathology. Vol. 83, Pg. 367, 1976.