CALCIUM SORBATE

Chemical Names:	CALCIUM SORBATE; CALCIUM SALT OF trans,trans-2,4-HEXADIENOIC ACID
CAS number:	7492-55-9
INS:	203
Functional Class:	Food Additives PRESERVATIVE

From apps.who.int

Evaluation year:	1973
ADI:	0-25 mg/kg bw
Meeting:	17
Specs Code:	R
Comments:	Group ADI as the sum of sorbic acid and calcium, potassium and sodium sorbates (expressed as sorbic acid)
Report:	NMRS 53/TRS 539-JECFA 17/18
Tox Monograph:	FAS 5/NMRS 53A-JECFA 17/121
Specification:	COMPENDIUM ADDENDUM 6/FNP 52 Add.6/15 (1998); FAO JECFA Monographs 1 vol.1/265

Number	Food Category	Max Level	Notes
14.2.7	Aromatized alcoholic beverages (e.g. beer, wine and spirituous cooler-type beverages, low alcoholic refreshers)	500 mg/kg	Note 224,Note 42
07.0	Bakery wares	1,000 mg/kg	Note 42
06.6	Batters (e.g. for breading or batters for fish or poultry)	2,000 mg/kg	Note 42
01.3.2	Beverage whiteners	200 mg/kg	Note 42
04.1.2.7	Candied fruit	500 mg/kg	Note 42
06.5	Cereal and starch based desserts (e.g. rice pudding, tapioca pudding)	1,000 mg/kg	Note 42
01.6.5	Cheese analogues	3,000 mg/kg	Note 3,Note 42
05.3	Chewing gum	1,500 mg/kg	Note 42
14.2.2	Cider and perry	500 mg/kg	Note 42
05.1.2	Cocoa mixes (syrups)	1,000 mg/kg	Note 42
05.1.3	Cocoa-based spreads, including fillings	1,000 mg/kg	Note XS86,Note 42
14.1.5	Coffee, coffee substitutes, tea, herbal infusions, and other hot cereal and grain beverages, excluding cocoa	500 mg/kg	Note 160,Note 42
14.1.2.3	Concentrates for fruit juice	1,000 mg/kg	Note 127,Note 91,Note 122,Note 42
14.1.3.3	Concentrates for fruit nectar	1,000 mg/kg	Note 127,Note 91,Note 122,Note 42
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 42
09.2.4.1	Cooked fish and fish products	2,000 mg/kg	Note 42
04.1.2.12	Cooked fruit	1,200 mg/kg	Note 42
09.2.4.2	Cooked mollusks, crustaceans, and echinoderms	2,000 mg/kg	Note 42,Note 82
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 221,Note 42
08.2.1.2	Cured (including salted) and dried non-heat treated processed meat, poultry, and game products in whole pieces or cuts	2,000 mg/kg	Note 3,Note 42
08.2.1.1	Cured (including salted) non-heat treated processed meat, poultry, and game products in whole pieces or cuts	200 mg/kg	Note 3,Note 42
01.7	Dairy-based desserts (e.g. pudding, fruit or flavoured yoghurt)	1,000 mg/kg	Note 42
05.4	Decorations (e.g. for fine bakery wares), toppings (non-fruit) and sweet sauces	1,000 mg/kg	Note 42
13.5	Dietetic foods (e.g. supplementary foods for dietary use) excluding products of food categories 13.1 - 13.4 and 13.6	1,500 mg/kg	Note 42
13.3	Dietetic foods intended for special medical purposes (excluding products of food category 13.1)	1,500 mg/kg	Note 42
13.4	Dietetic formulae for slimming purposes and weight reduction	1,500 mg/kg	Note 42
10.2.3	Dried and/or heat coagulated egg products	1,000 mg/kg	Note 42
04.1.2.2	Dried fruit	500 mg/kg	Note 42
08.4	Edible casings (e.g. sausage casings)	10,000 mg/kg	Note 222,Note 42,Note 365
10.4	Egg-based desserts (e.g. custard)	1,000 mg/kg	Note 42
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 42
02.2.2	Fat spreads, dairy fat spreads and blended spreads	2,000 mg/kg	Note 42
02.4	Fat-based desserts excluding dairy-based dessert products of food category 01.7	1,000 mg/kg	Note 42
04.1.2.10	Fermented fruit products	1,000 mg/kg	Note 42
08.2.1.3	Fermented non-heat treated processed meat, poultry, and game products in whole pieces or cuts	200 mg/kg	Note 3,Note 42
12.9.1	Fermented soybean paste (e.g., miso)	1,000 mg/kg	Note 42
12.9.2.1	Fermented soybean sauce	1,000 mg/kg	Note 42
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 42
01.1.4	Flavoured fluid milk drinks	1,000 mg/kg	Note 220,Note 42
13.6	Food supplements	2,000 mg/kg	Note 42
10.2.2	Frozen egg products	1,000 mg/kg	Note 42
08.2.3	Frozen processed meat, poultry, and game products in whole pieces or cuts	200 mg/kg	Note 3,Note 42
04.1.2.11	Fruit fillings for pastries	1,000 mg/kg	Note 42
04.1.2.3	Fruit in vinegar, oil, or brine	1,000 mg/kg	Note 42
14.1.2.1	Fruit juice	1,000 mg/kg	Note 91,Note 122,Note 42
14.1.3.1	Fruit nectar	1,000 mg/kg	Note 91,Note 122,Note 42
04.1.2.8	Fruit preparations, including pulp, purees, fruit toppings and coconut milk	1,000 mg/kg	Note 42
04.1.2.9	Fruit-based desserts, including fruit-flavoured water-based desserts	1,000 mg/kg	Note 42
04.1.2.6	Fruit-based spreads (e.g. chutney) excluding products of food category 04.1.2.5	1,000 mg/kg	Note 42
14.2.3	Grape wines	200 mg/kg	Note 42
08.2.2	Heat-treated processed meat, poultry, and game products in whole pieces or cuts	200 mg/kg	Note XS97,Note 3,Note 42,Note XS96
12.2	Herbs, spices, seasonings and condiments (e.g. seasoning for instant noodles)	1,000 mg/kg	Note 42
05.1.5	Imitation chocolate, chocolate substitute products	1,500 mg/kg	Note 42
04.1.2.5	Jams, jellies, marmelades	1,000 mg/kg	Note 42
10.2.1	Liquid egg products	5,000 mg/kg	Note 42
14.2.5	Mead	200 mg/kg	Note 42
12.4	Mustards	1,000 mg/kg	Note 42
12.9.2.3	Other soybean sauces	1,000 mg/kg	Note 42
11.4	Other sugars and syrups (e.g. xylose, maple syrup, sugar toppings)	1,000 mg/kg	Note 42
06.4.3	Pre-cooked pastas and noodles and like products	2,000 mg/kg	Note 211,Note 42
01.6.4	Processed cheese	3,000 mg/kg	Note 42
08.3	Processed comminuted meat, poultry, and game products	1,500 mg/kg	Note XS89,Note XS88,Note 42,Note XS98
15.2	Processed nuts, including coated nuts and nut mixtures (with e.g. dried fruit)	1,000 mg/kg	Note 42
01.2.2	Renneted milk (plain)	1,000 mg/kg	Note 42
01.6.2	Ripened cheese	3,000 mg/kg	Note 42
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 42
12.6	Sauces and like products	1,000 mg/kg	Note 127,Note 42
09.3	Semi-preserved fish and fish products, including mollusks, crustaceans, and echinoderms	1,000 mg/kg	Note 42
09.2.5	Smoked, dried, fermented, and/or salted fish and fish products, including mollusks, crustaceans, and echinoderms	1,000 mg/kg	Note 42
15.1	Snacks - potato, cereal, flour or starch based (from roots and tubers, pulses and legumes)	1,000 mg/kg	Note 42
12.5	Soups and broths	1,000 mg/kg	Note 339,Note 42,Note 338
11.6	Table-top sweeteners, including those containing high-intensity sweeteners	1,000 mg/kg	Note 192,Note 42
01.6.1	Unripened cheese	1,000 mg/kg	Note 42,Note 223
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	1,000 mg/kg	Note 42
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 42
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	1,000 mg/kg	Note 42
14.1.4	Water-based flavoured drinks, including "sport," "energy," or "electrolyte" drinks and particulated drinks	500 mg/kg	Note 127,Note 42
01.6.3	Whey cheese	1,000 mg/kg	Note 42
01.6.6	Whey protein cheese	3,000 mg/kg	Note 42
14.2.4	Wines (other than grape)	500 mg/kg	Note 42

2D Structure
CID	6433506
IUPAC Name	calcium;(2E,4E)-hexa-2,4-dienoate
InChI	InChI=1S/2C6H8O2.Ca/c21-2-3-4-5-6(7)8;/h22-5H,1H3,(H,7,8);/q;;+2/p-2/b2*3-2+,5-4+;
InChI Key	MCFVRESNTICQSJ-RJNTXXOISA-L
Canonical SMILES	CC=CC=CC(=O)[O-].CC=CC=CC(=O)[O-].[Ca+2]
Molecular Formula	C12H14O4Ca
Wikipedia	calcium sorbate

From Pubchem

Property Name	Property Value
Molecular Weight	262.318
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Complexity	117.0
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 A A A A A A A A A A A A A A A A A G g A A A A A A C A C A g A A C C A A A A A C I A C D S C A A A A A A A A A A I C A A A A E A I B A A A A Q A A E A A A A A A A g Y 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 A A A A A = =
Topological Polar Surface Area	80.3
Monoisotopic Mass	262.052
Exact Mass	262.052
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	17
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Medium-chain fatty acids
Alternative Parents	Organic calcium salts Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Straight chain fatty acids Unsaturated fatty acids Organic oxides Carboxylic acids Carboxylic acid salts
Molecular Framework	Not available
Substituents	Medium-chain fatty acid - Unsaturated fatty acid - Straight chain fatty acid - 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 - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

CALCIUM SORBATE

Relevant Data

Food Additives Approved in the United States

Food Additives Approved by European Union:

General Information

Evaluations

GSFA Provisions for CALCIUM SORBATE

Computed Descriptors

Computed Properties

Taxonomic Classification

Chemical name	Calcium sorbate
CAS number	7492-55-9
E No.	E 203
INS	203
Group	No
Component of the group	Sorbic acid - sorbates (E 200 - 203) Sorbic acid - sorbates; p-hydroxybenzoates (E 200 - 203; 214 - 219) Sorbic acid - sorbates; Benzoic acid - benzoates (E 200 - 213) Sorbic acid - sorbates; Benzoic acid - benzoates; p-hydroxybenzoates (E 200 - 219)