CALCIUM PROPIONATE
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Synonyms: | CALCIUM PROPANOATE |
| Chemical Names: | CALCIUM PROPIONATE |
| CAS number: | 4075-81-4 |
| INS: | 282 |
| Functional Class: |
Food Additives PRESERVATIVE |
From apps.who.int
Evaluations
| Evaluation year: | 1973 |
| ADI: | NOT LIMITED |
| Meeting: | 49 |
| Specs Code: | R (1997) |
| Comments: | The 1973 group ADI of "not limited" for propionic acid and its calcium, potassium and sodium salts was maintained at the forty-ninth meeting (1997). |
| Report: | NMRS 53/TRS 539-JECFA 17/23 |
| Tox Monograph: | FAS 5/NMRS 53A-JECFA 17/110 |
| Specification: | COMPENDIUM ADDENDUM 6/FNP 52 Add.6/13 (1998); FAO JECFA Monographs 1 vol.1/255 |
From apps.who.int
GSFA Provisions for CALCIUM PROPIONATE
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 01.6.6 | Whey protein cheese |
3,000 mg/kg | Note 70 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 19999 |
| IUPAC Name | calcium;propanoate |
| InChI | InChI=1S/2C3H6O2.Ca/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2 |
| InChI Key | BCZXFFBUYPCTSJ-UHFFFAOYSA-L |
| Canonical SMILES | CCC(=O)[O-].CCC(=O)[O-].[Ca+2] |
| Molecular Formula | C6H10O4Ca |
| Wikipedia | calcium propionate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 186.22 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 34.6 |
| CACTVS Substructure Key Fingerprint | A A A D c c B g 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 A I A A C Q C A A A A A A A A A A A A A E 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 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 | 186.02 |
| Exact Mass | 186.02 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| 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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acid salts |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Carboxylic acid salt - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid - 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 carboxylic acid salts. These are ionic derivatives of carboxylic acid. |
From ClassyFire