SUCRALOSE
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Synonyms: | 4,1',6'-TRICHLOROGALACTOSUCROSE |
| Chemical Names: | 1,6-DICHLORO-1,6-DIDEOXY-beta-D-FRUCTOFURANOSYL-4-CHLORO-4-DEOXY-alpha-D-GALACTOPYRANOSIDE |
| CAS number: | 56038-13-2 |
| INS: | 955 |
| Functional Class: |
Food Additives SWEETENER |
From apps.who.int
Evaluations
| Evaluation year: | 1990 |
| ADI: | 0-15 mg/kg bw |
| Meeting: | 37 |
| Specs Code: | R (1993) |
| Report: | TRS 806-JECFA 37/21 |
| Tox Monograph: | FAS 28-JECFA 37/219 |
| Specification: | COMPENDIUM ADDENDUM 12/FNP 52 Add. 12/68 (METALS LIMITS) (2004). R; FAO JECFA Monographs 1 vol.3/439 |
From apps.who.int
GSFA Provisions for SUCRALOSE
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 14.2.7 | Aromatized alcoholic beverages (e.g. beer, wine and spirituous cooler-type beverages, low alcoholic refreshers) |
700 mg/kg | Note 161 |
| 01.3.2 | Beverage whiteners |
580 mg/kg | Note 161 |
| 07.1 | Bread and ordinary bakery wares |
650 mg/kg | Note 161 |
| 06.3 | Breakfast cereals, including rolled oats |
1,000 mg/kg | Note 161 |
| 04.1.2.7 | Candied fruit |
800 mg/kg | Note 161 |
| 04.1.2.4 | Canned or bottled (pasteurized) fruit |
400 mg/kg | Note 161 |
| 04.2.2.4 | Canned or bottled (pasteurized) or retort pouch vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), and seaweeds |
580 mg/kg | Note 161 |
| 06.5 | Cereal and starch based desserts (e.g. rice pudding, tapioca pudding) |
400 mg/kg | Note 161 |
| 01.6.5 | Cheese analogues |
500 mg/kg | Note 161 |
| 05.3 | Chewing gum |
5,000 mg/kg | Note 161 |
| 05.1.4 | Cocoa and chocolate products |
800 mg/kg | Note 161,Note XS87 |
| 05.1.1 | Cocoa mixes (powders) and cocoa mass/cake |
580 mg/kg | Note 97,Note XS141 |
| 05.1.2 | Cocoa mixes (syrups) |
400 mg/kg | Note 97,Note 161 |
| 05.1.3 | Cocoa-based spreads, including fillings |
400 mg/kg | Note 161,Note 169,Note XS86 |
| 14.1.5 | Coffee, coffee substitutes, tea, herbal infusions, and other hot cereal and grain beverages, excluding cocoa |
300 mg/kg | Note 161,Note 160 |
| 14.1.3.3 | Concentrates for fruit nectar |
300 mg/kg | Note 127 |
| 14.1.3.4 | Concentrates for vegetable nectar |
300 mg/kg | Note 127,Note 161 |
| 05.2 | Confectionery including hard and soft candy, nougats, etc. other than food categories 05.1, 05.3 and 05.4 |
1,800 mg/kg | Note 161,Note 164,Note XS309R |
| 04.1.2.12 | Cooked fruit |
150 mg/kg | Note 161 |
| 04.2.2.8 | Cooked or fried vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), and seaweeds |
150 mg/kg | Note 161,Note 144 |
| 01.4.4 | Cream analogues |
580 mg/kg | Note 161 |
| 01.7 | Dairy-based desserts (e.g. pudding, fruit or flavoured yoghurt) |
400 mg/kg | Note 161 |
| 05.4 | Decorations (e.g. for fine bakery wares), toppings (non-fruit) and sweet sauces |
1,000 mg/kg | Note 161 |
| 04.1.2.2 | Dried fruit |
1,500 mg/kg | Note 161 |
| 04.2.2.2 | Dried vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweeds, and nuts and seeds |
580 mg/kg | Note 161 |
| 03.0 | Edible ices, including sherbet and sorbet |
320 mg/kg | Note 161 |
| 10.4 | Egg-based desserts (e.g. custard) |
400 mg/kg | Note 161 |
| 02.4 | Fat-based desserts excluding dairy-based dessert products of food category 01.7 |
400 mg/kg | Note 161 |
| 04.1.2.10 | Fermented fruit products |
150 mg/kg | Note 161 |
| 04.2.2.7 | Fermented vegetable (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera) and seaweed products, excluding fermented soybean products of food categories 06.8.6, 06.8.7, 12.9.1, 12.9.2.1 and 12.9.2.3 |
580 mg/kg | Note 161 |
| 07.2 | Fine bakery wares (sweet, salty, savoury) and mixes |
700 mg/kg | Note 161,Note 165 |
| 01.1.4 | Flavoured fluid milk drinks |
300 mg/kg | Note 404,Note 161 |
| 04.1.2.1 | Frozen fruit |
400 mg/kg | Note 161 |
| 04.2.2.1 | Frozen vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweeds, and nuts and seeds |
150 mg/kg | Note 161 |
| 04.1.2.11 | Fruit fillings for pastries |
400 mg/kg | Note 161 |
| 04.1.2.3 | Fruit in vinegar, oil, or brine |
180 mg/kg | Note 144 |
| 04.1.2.8 | Fruit preparations, including pulp, purees, fruit toppings and coconut milk |
400 mg/kg | Note 161 |
| 04.1.2.9 | Fruit-based desserts, including fruit-flavoured water-based desserts |
400 mg/kg | Note 161 |
| 04.1.2.6 | Fruit-based spreads (e.g. chutney) excluding products of food category 04.1.2.5 |
400 mg/kg | Note 161 |
| 09.4 | Fully preserved, including canned or fermented fish and fish products, including mollusks, crustaceans, and echinoderms |
120 mg/kg | Note 144 |
| 12.2.1 | Herbs and spices |
400 mg/kg | Note 161 |
| 05.1.5 | Imitation chocolate, chocolate substitute products |
800 mg/kg | Note 161 |
| 04.1.2.5 | Jams, jellies, marmelades |
400 mg/kg | Note 161 |
| 11.4 | Other sugars and syrups (e.g. xylose, maple syrup, sugar toppings) |
1,500 mg/kg | Note 161,Note 159 |
| 06.7 | Pre-cooked or processed rice products, including rice cakes (Oriental type only) |
200 mg/kg | Note 72 |
| 15.0 | Ready-to-eat savouries |
1,000 mg/kg | Note 161 |
| 12.7 | Salads (e.g. macaroni salad, potato salad) and sandwich spreads excluding cocoa- and nut-based spreads of food categories 04.2.2.5 and 05.1.3 |
1,250 mg/kg | Note 161,Note 169 |
| 12.6 | Sauces and like products |
450 mg/kg | Note 127 |
| 12.2.2 | Seasonings and condiments |
700 mg/kg | Note 161 |
| 09.3 | Semi-preserved fish and fish products, including mollusks, crustaceans, and echinoderms |
120 mg/kg | Note 144 |
| 12.5 | Soups and broths |
600 mg/kg | Note XS117,Note 161 |
| 04.2.2.6 | Vegetable (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweed, and nut and seed pulps and preparations (e.g. vegetable desserts and sauces, candied vegetables) other than food category 04.2.2.5 |
400 mg/kg | Note 161 |
| 04.2.2.5 | Vegetable (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweed, and nut and seed purees and spreads (e.g., peanut butter) |
400 mg/kg | Note 161,Note 169 |
| 14.1.3.2 | Vegetable nectar |
300 mg/kg | Note 161 |
| 12.3 | Vinegars |
400 mg/kg | Note 161 |
| 14.1.4 | Water-based flavoured drinks, including "sport," "energy," or "electrolyte" drinks and particulated drinks |
300 mg/kg | Note 127,Note 161 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 71485 |
| IUPAC Name | (2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5S)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-(hydroxymethyl)oxane-3,4-diol |
| InChI | 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 |
| InChI Key | BAQAVOSOZGMPRM-QBMZZYIRSA-N |
| Canonical SMILES | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O |
| Molecular Formula | C12H19Cl3O8 |
| Wikipedia | sucralose |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 397.626 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Complexity | 405.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B w P A A G A A A A A A A A A A A A A A A A A S A A A A A k A A A A A A A A A A A A A A A A G g I A C A A A C B e w g E M A C A A A B g A A A A A A A A A A A A A A A A A A A A A A A w A R E A I B A A A i Q A A F A A A H A A H A Y A w A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 129.0 |
| Monoisotopic Mass | 396.015 |
| Exact Mass | 396.015 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
From Pubchem
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9216 |
| Human Intestinal Absorption | HIA- | 0.7204 |
| Caco-2 Permeability | Caco2- | 0.7622 |
| P-glycoprotein Substrate | Non-substrate | 0.6626 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.8819 |
| Non-inhibitor | 0.9381 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.8002 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.8061 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8902 |
| CYP450 2D6 Substrate | Non-substrate | 0.8374 |
| CYP450 3A4 Substrate | Non-substrate | 0.6357 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.8164 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8819 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.8865 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.7114 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9491 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.8360 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9473 |
| Non-inhibitor | 0.8618 | |
| AMES Toxicity | Non AMES toxic | 0.7257 |
| Carcinogens | Non-carcinogens | 0.9244 |
| Fish Toxicity | High FHMT | 0.5970 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.9629 |
| Honey Bee Toxicity | High HBT | 0.6873 |
| Biodegradation | Not ready biodegradable | 0.9769 |
| Acute Oral Toxicity | III | 0.4614 |
| Carcinogenicity (Three-class) | Non-required | 0.5296 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.4586 | LogS |
| Caco-2 Permeability | -0.1389 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 1.9394 | LD50, mol/kg |
| Fish Toxicity | 1.6975 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 0.2125 | pIGC50, ug/L |
From admetSAR
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Glycosyl compounds |
| Direct Parent | C-glycosyl compounds |
| Alternative Parents | |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | C-glycosyl compound - Ketal - Oxane - Monosaccharide - Tetrahydrofuran - Secondary alcohol - Chlorohydrin - Halohydrin - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Primary alcohol - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. |
From ClassyFire