CALCIUM BENZOATE
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Synonyms: | MONOCALCIUM BENZOATE |
| Chemical Names: | CALCIUM BENZOATE |
| CAS number: | 2090-05-3 |
| INS: | 213 |
| Functional Class: |
Food Additives PRESERVATIVE |
From apps.who.int
Evaluations
| Evaluation year: | 1996 |
| ADI: | 0-5 mg/kg bw |
| Meeting: | 46 |
| Specs Code: | R |
| Comments: | The 1996 group ADI of 0-5 mg/kg bw for benzoic acid, the benzoate salts (calcium, potassium and sodium), benzaldehyde, benzyl acetate, benzyl alcohol and benzyl benzoate, expressed as benzoic acid equivalents, was maintained at the fifty-seventh meeting (2001). |
| Report: | TRS 909-JECFA 57/73 (2001) |
| Specification: | COMPENDIUM ADDENDUM 12/FNP 52 Add. 12/67 (METALS LIMITS) (2004); FAO JECFA Monographs 1 vol.1/211 |
From apps.who.int
GSFA Provisions for CALCIUM BENZOATE
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 14.2.7 | Aromatized alcoholic beverages (e.g. beer, wine and spirituous cooler-type beverages, low alcoholic refreshers) |
1,000 mg/kg | Note 13 |
| 07.0 | Bakery wares |
1,000 mg/kg | Note 13 |
| 04.1.2.7 | Candied fruit |
1,000 mg/kg | Note 13 |
| 06.5 | Cereal and starch based desserts (e.g. rice pudding, tapioca pudding) |
1,000 mg/kg | Note 13 |
| 05.3 | Chewing gum |
1,500 mg/kg | Note 13 |
| 14.2.2 | Cider and perry |
1,000 mg/kg | Note 13,Note 124 |
| 05.1.3 | Cocoa-based spreads, including fillings |
1,500 mg/kg | Note XS86,Note 13 |
| 14.1.5 | Coffee, coffee substitutes, tea, herbal infusions, and other hot cereal and grain beverages, excluding cocoa |
1,000 mg/kg | Note 13 |
| 14.1.2.3 | Concentrates for fruit juice |
1,000 mg/kg | Note 91,Note 122,Note 127,Note 13 |
| 14.1.3.3 | Concentrates for fruit nectar |
1,000 mg/kg | Note 91,Note 122,Note 127,Note 13 |
| 14.1.3.4 | Concentrates for vegetable nectar |
600 mg/kg | Note 13 |
| 05.2 | Confectionery including hard and soft candy, nougats, etc. other than food categories 05.1, 05.3 and 05.4 |
1,500 mg/kg | Note XS309R,Note 13 |
| 04.1.2.12 | Cooked fruit |
1,000 mg/kg | Note 13 |
| 09.2.4.2 | Cooked mollusks, crustaceans, and echinoderms |
2,000 mg/kg | Note 82,Note 13 |
| 04.2.2.8 | Cooked or fried vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), and seaweeds |
1,000 mg/kg | Note 13 |
| 08.3.1.2 | Cured (including salted) and dried non-heat treated processed comminuted meat, poultry, and game products |
1,000 mg/kg | Note 3,Note 13 |
| 08.2.1.2 | Cured (including salted) and dried non-heat treated processed meat, poultry, and game products in whole pieces or cuts |
1,000 mg/kg | Note 3,Note 13 |
| 01.7 | Dairy-based desserts (e.g. pudding, fruit or flavoured yoghurt) |
300 mg/kg | Note 13 |
| 05.4 | Decorations (e.g. for fine bakery wares), toppings (non-fruit) and sweet sauces |
1,500 mg/kg | Note 13 |
| 13.5 | Dietetic foods (e.g. supplementary foods for dietary use) excluding products of food categories 13.1 - 13.4 and 13.6 |
2,000 mg/kg | Note 13 |
| 13.3 | Dietetic foods intended for special medical purposes (excluding products of food category 13.1) |
1,500 mg/kg | Note 13 |
| 13.4 | Dietetic formulae for slimming purposes and weight reduction |
1,500 mg/kg | Note 13 |
| 04.1.2.2 | Dried fruit |
800 mg/kg | Note 13 |
| 04.2.2.2 | Dried vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweeds, and nuts and seeds |
1,000 mg/kg | Note 13 |
| 10.4 | Egg-based desserts (e.g. custard) |
1,000 mg/kg | Note 13 |
| 02.3 | Fat emulsions mainly of type oil-in-water, including mixed and/or flavoured products based on fat emulsions |
1,000 mg/kg | Note 13 |
| 02.2.2 | Fat spreads, dairy fat spreads and blended spreads |
1,000 mg/kg | Note 13 |
| 02.4 | Fat-based desserts excluding dairy-based dessert products of food category 01.7 |
1,000 mg/kg | Note 13 |
| 04.1.2.10 | Fermented fruit products |
1,000 mg/kg | Note 13 |
| 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 |
1,000 mg/kg | Note 13 |
| 13.6 | Food supplements |
2,000 mg/kg | Note 13 |
| 04.1.2.11 | Fruit fillings for pastries |
1,000 mg/kg | Note 13 |
| 04.1.2.3 | Fruit in vinegar, oil, or brine |
1,000 mg/kg | Note 13 |
| 14.1.2.1 | Fruit juice |
1,000 mg/kg | Note 91,Note 122,Note 13 |
| 14.1.3.1 | Fruit nectar |
1,000 mg/kg | Note 91,Note 122,Note 13 |
| 04.1.2.8 | Fruit preparations, including pulp, purees, fruit toppings and coconut milk |
1,000 mg/kg | Note 13 |
| 04.1.2.9 | Fruit-based desserts, including fruit-flavoured water-based desserts |
1,000 mg/kg | Note 13 |
| 04.1.2.6 | Fruit-based spreads (e.g. chutney) excluding products of food category 04.1.2.5 |
1,000 mg/kg | Note 13 |
| 05.1.5 | Imitation chocolate, chocolate substitute products |
1,500 mg/kg | Note 13 |
| 04.1.2.5 | Jams, jellies, marmelades |
1,000 mg/kg | Note 13 |
| 10.2.1 | Liquid egg products |
5,000 mg/kg | Note 13 |
| 14.2.5 | Mead |
1,000 mg/kg | Note 13 |
| 12.4 | Mustards |
1,000 mg/kg | Note 13 |
| 11.4 | Other sugars and syrups (e.g. xylose, maple syrup, sugar toppings) |
1,000 mg/kg | Note 13 |
| 06.4.3 | Pre-cooked pastas and noodles and like products |
1,000 mg/kg | Note 13 |
| 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 |
1,500 mg/kg | Note 13 |
| 12.6 | Sauces and like products |
1,000 mg/kg | Note 13 |
| 12.2.2 | Seasonings and condiments |
1,000 mg/kg | Note 13 |
| 09.3 | Semi-preserved fish and fish products, including mollusks, crustaceans, and echinoderms |
2,000 mg/kg | Note 13,Note 120 |
| 09.2.5 | Smoked, dried, fermented, and/or salted fish and fish products, including mollusks, crustaceans, and echinoderms |
200 mg/kg | Note 13,Note 121 |
| 15.1 | Snacks - potato, cereal, flour or starch based (from roots and tubers, pulses and legumes) |
1,000 mg/kg | Note 13 |
| 12.5 | Soups and broths |
500 mg/kg | Note 338,Note 13,Note 339 |
| 11.6 | Table-top sweeteners, including those containing high-intensity sweeteners |
2,000 mg/kg | Note 13 |
| 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 |
3,000 mg/kg | Note 13 |
| 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) |
1,000 mg/kg | Note 13 |
| 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 |
2,000 mg/kg | Note 13 |
| 12.3 | Vinegars |
1,000 mg/kg | Note 13 |
| 14.1.4 | Water-based flavoured drinks, including "sport," "energy," or "electrolyte" drinks and particulated drinks |
250 mg/kg | Note 301,Note 13 |
| 14.2.4 | Wines (other than grape) |
1,000 mg/kg | Note 13 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 62425 |
| IUPAC Name | calcium;dibenzoate |
| InChI | InChI=1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2 |
| InChI Key | NSQPPSOSXWOZNH-UHFFFAOYSA-L |
| Canonical SMILES | C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ca+2] |
| Molecular Formula | Anhydrous:C14H10O4Ca |
| Wikipedia | calcium benzoate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 282.308 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 98.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B w O A A A A A g A A A A A A A A A A A A A A A A A A A A w Y A A A A A A A A A A B Q A A A G g A A A A A A D A C A m A A w C I A A A A C I A i D S C A A C A A A k A A A I i A E A C M g I J j K A F R C A M Q A k w A E I i Y e I y C C O 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 | 80.3 |
| Monoisotopic Mass | 282.02 |
| Exact Mass | 282.02 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| 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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acids |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Benzoic acid - Benzoyl - Carboxylic acid salt - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group. |
From ClassyFire