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56038-13-2

Basic Information
CAS No.: 56038-13-2
Name: Sucralose
Article Data: 47
Molecular Structure:
Molecular Structure of 56038-13-2 (Sucralose)
Formula: C12H19Cl3O8
Molecular Weight: 397.637
Synonyms: Trichlorosucrose;4,1,6-Trichloro-4,1,6-trideoxy-galacto-sucrose;1,6-Dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactose;1,6-Dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside;See R-D-Galactopyranoside,1,6-dichloro-1,6- dideoxy-a-D-fructofuranosyl 4-chloro-4-deoxy-;Sucralose (Trichlorosucorose);Sucralose Fccv;Sucralose [BAN];(2R,3R,4R,5S,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxy-oxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol;
EINECS: 259-952-2
Density: 1.69 g/cm3
Melting Point: 125.5oC
Boiling Point: 669.4 °C at 760 mmHg
Flash Point: 358.7 °C
Solubility: Soluble in Water.
Appearance: Off-White Amorphous Solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 128.84000
LogP: -1.65610
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    56038-13-2

    Sucralose 56038-13-2

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History

 Sucralose (CAS NO.56038-13-2) was discovered by scientists from Tate & Lyle in 1976,working with researchers Leslie Hough and Shashikant Phadnis at Queen Elizabeth College.On a late-summer day, Phadnis was told to test the powder. Phadnis thought that Hough asked him to taste it, and he did this.Then he found the compound to be exceptionally sweet (the final formula was 600 times as sweet as sugar).

Specification

Sucralose(CAS NO.56038-13-2) is a zero-calorie sugar substitute artificial sweetener. Sucralose is approximately 600 times as sweet as sucrose (table sugar), it is stable under heat and over a broad range of pH conditions. So it can be used in baking or in products that require a longer shelf life. Sucralose is typically added to foods in very small quantities. The classification code of Sucralose(CAS NO.56038-13-2) are flavoring agents, food additives, sweetening agents.

Physical properties about Sucralose are: (1)ACD/LogP: 0.229; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 31.75; (8)ACD/KOC (pH 7.4): 31.75; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction:1.604; (13)Molar Refractivity: 80.755 cm3; (14)Molar Volume: 234.787 cm3; (15)Polarizability: 32.014 10-24cm3; (16)Surface Tension: 76.556999206543 dyne/cm; (17)Density: 1.694 g/cm3; (18)Flash Point: 358.659 °C; (19)Enthalpy of Vaporization: 112.585 kJ/mol; (20)Boiling Point: 669.431 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1;
(2)InChIKey=BAQAVOSOZGMPRM-QBMZZYIRSA-N;
(3)SmilesO1[C@@H]([C@H]([C@@H]([C@@]1(O[C@@H]1[C@H](O)[C@H]([C@@H](Cl)[C@H](CO)O1)O)CCl)O)O)CCl;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 16gm/kg (16000mg/kg)   Trends in Biochemical Sciences. Vol. 3, Pg. 61, 1978.

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