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| CAS No.: | 56038-13-2 |
|---|---|
| Name: | Sucralose |
| Article Data: | 47 |
| Molecular Structure: | |
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| 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: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 128.84000 |
| LogP: | -1.65610 |
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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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