CALCIUM SACCHARIN
Relevant Data
Food Additives Approved in the United States
General Information
| Chemical Names: | CALCIUM o-BENZOSULFIMIDE; CALCIUM SALT OF 2,3-DIHYDRO-3-OXOBENZISOSULFONAZOLE; 1,2-BENZISOTHIAZOLIN-3-ONE-1,1-DIOXIDE CALCIUM SALT HYDRATE (2:7) |
| CAS number: | 6485-34-3 |
| INS: | 954(ii) |
| Functional Class: |
Food Additives SWEETENER |
From apps.who.int
Evaluations
| Evaluation year: | 1993 |
| ADI: | 0-5 mg/kg bw |
| Meeting: | 41 |
| Specs Code: | S |
| Report: | TRS 837-JECFA 41/17 |
| Tox Monograph: | FAS 32-JECFA 41/105 |
| Specification: | FNP 17-JECFA 24/24 (1980); COMPENDIUM/333; FAO JECFA Monographs 1 vol.1/261 |
From apps.who.int
GSFA Provisions for CALCIUM SACCHARIN
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 06.3 | Breakfast cereals, including rolled oats |
100 mg/kg | Note 161 |
| 04.1.2.4 | Canned or bottled (pasteurized) fruit |
200 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 |
160 mg/kg | Note 161,Note 144 |
| 14.1.4.1 | Carbonated water-based flavoured drinks |
300 mg/kg | Note 161 |
| 06.5 | Cereal and starch based desserts (e.g. rice pudding, tapioca pudding) |
100 mg/kg | Note 161 |
| 01.6.5 | Cheese analogues |
100 mg/kg | Note 161 |
| 05.3 | Chewing gum |
2,500 mg/kg | Note 161 |
| 05.1.4 | Cocoa and chocolate products |
500 mg/kg | Note 161 |
| 05.1.1 | Cocoa mixes (powders) and cocoa mass/cake |
100 mg/kg | Note 97,Note 161,Note XS141 |
| 05.1.2 | Cocoa mixes (syrups) |
80 mg/kg | Note 161 |
| 05.1.3 | Cocoa-based spreads, including fillings |
200 mg/kg | Note 161,Note XS86 |
| 14.1.5 | Coffee, coffee substitutes, tea, herbal infusions, and other hot cereal and grain beverages, excluding cocoa |
200 mg/kg | Note 160 |
| 14.1.4.3 | Concentrates (liquid or solid) for water-based flavoured drinks |
300 mg/kg | Note 161,Note 127 |
| 14.1.3.3 | Concentrates for fruit nectar |
80 mg/kg | Note 127 |
| 05.2 | Confectionery including hard and soft candy, nougats, etc. other than food categories 05.1, 05.3 and 05.4 |
500 mg/kg | Note XS309R,Note 163,Note 161 |
| 09.2.4.1 | Cooked fish and fish products |
500 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 |
160 mg/kg | Note 161,Note 144 |
| 01.7 | Dairy-based desserts (e.g. pudding, fruit or flavoured yoghurt) |
100 mg/kg | Note 161 |
| 05.4 | Decorations (e.g. for fine bakery wares), toppings (non-fruit) and sweet sauces |
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 |
500 mg/kg | Note 161 |
| 03.0 | Edible ices, including sherbet and sorbet |
100 mg/kg | Note 161 |
| 10.4 | Egg-based desserts (e.g. custard) |
100 mg/kg | Note 144 |
| 02.4 | Fat-based desserts excluding dairy-based dessert products of food category 01.7 |
100 mg/kg | Note 161 |
| 04.1.2.10 | Fermented fruit products |
160 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 |
200 mg/kg | Note 161 |
| 07.2 | Fine bakery wares (sweet, salty, savoury) and mixes |
170 mg/kg | Note 165 |
| 09.3.1 | Fish and fish products, including mollusks, crustaceans, and echinoderms, marinated and/or in jelly |
160 mg/kg | Note 144 |
| 09.3.2 | Fish and fish products, including mollusks, crustaceans, and echinoderms, pickled and/or in brine |
160 mg/kg | Note 144 |
| 01.1.4 | Flavoured fluid milk drinks |
80 mg/kg | Note 406,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 |
500 mg/kg | Note 161 |
| 04.1.2.3 | Fruit in vinegar, oil, or brine |
160 mg/kg | Note 144 |
| 04.1.2.8 | Fruit preparations, including pulp, purees, fruit toppings and coconut milk |
200 mg/kg | Note 161 |
| 04.1.2.9 | Fruit-based desserts, including fruit-flavoured water-based desserts |
100 mg/kg | Note 161 |
| 04.1.2.6 | Fruit-based spreads (e.g. chutney) excluding products of food category 04.1.2.5 |
200 mg/kg | Note 161 |
| 09.4 | Fully preserved, including canned or fermented fish and fish products, including mollusks, crustaceans, and echinoderms |
200 mg/kg | Note 144 |
| 08.3.2 | Heat-treated processed comminuted meat, poultry, and game products |
500 mg/kg | Note XS98,Note 161,Note XS88,Note XS89 |
| 08.2.2 | Heat-treated processed meat, poultry, and game products in whole pieces or cuts |
500 mg/kg | Note 161,Note XS96,Note XS97 |
| 05.1.5 | Imitation chocolate, chocolate substitute products |
500 mg/kg | Note 161 |
| 04.1.2.5 | Jams, jellies, marmelades |
200 mg/kg | Note 161 |
| 14.1.4.2 | Non-carbonated water-based flavoured drinks, including punches and ades |
300 mg/kg | Note 161 |
| 11.4 | Other sugars and syrups (e.g. xylose, maple syrup, sugar toppings) |
300 mg/kg | Note 159 |
| 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 |
200 mg/kg | Note 161,Note 166 |
| 12.2.2 | Seasonings and condiments |
1,500 mg/kg | Note 161 |
| 09.3.4 | Semi-preserved fish and fish products, including mollusks, crustaceans, and echinoderms (e.g. fish paste), excluding products of food categories 09.3.1 - 09.3.3 |
160 mg/kg | Note 144 |
| 12.5 | Soups and broths |
110 mg/kg | Note 161,Note XS117 |
| 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 |
200 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) |
160 mg/kg | Note 161 |
| 14.1.3.2 | Vegetable nectar |
80 mg/kg | Note 161 |
| 04.2.2.3 | Vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), and seaweeds in vinegar, oil, brine, or soybean sauce |
160 mg/kg | Note 144 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 62610 |
| IUPAC Name | calcium;1,1-dioxo-1,2-benzothiazol-3-olate |
| InChI | InChI=1S/2C7H5NO3S.Ca/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h2*1-4H,(H,8,9);/q;;+2/p-2 |
| InChI Key | LNMAXKMUGYXKPJ-UHFFFAOYSA-L |
| Canonical SMILES | C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[Ca+2] |
| Molecular Formula | C14H8CaN2O6S2 |
| Wikipedia | saccharin calcium |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 404.424 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 0 |
| Complexity | 314.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B z O A B g A A g A A A A A A A A A A A A A A Q I A A A A w Y A A A A A A A A E A B Q A A A H g Q A Q A A A D A C B 2 A A w A Y A A A A K g A i B i A H B C A B A g A A A I i B g g C J g I J q K A E R C A M A A k w A E I i A e A w C A O A A A A A A A E A A A A A A A A A A g A A A A A A A A A A A = = |
| Topological Polar Surface Area | 156.0 |
| Monoisotopic Mass | 403.945 |
| Exact Mass | 403.945 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | 1,2-benzothiazole - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organic calcium salt - Azacycle - Organic nitrogen compound - Organic salt - Organic zwitterion - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
From ClassyFire