CALCIUM ACETATE
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Chemical Names: | CALCIUM ACETATE |
| CAS number: | 62-54-4 |
| FEMA number: | 2228 |
| INS: | 263 |
| Functional Class: |
Food Additives ACIDITY_REGULATOR PRESERVATIVE STABILIZER |
From apps.who.int
Evaluations
| Evaluation year: | 1973 |
| ADI: | NOT LIMITED |
| Meeting: | 17 |
| Specs Code: | R |
| Report: | NMRS 53/TRS 539-JECFA 17/37 |
| Tox Monograph: | FAS 5/NMRS 53A-JECFA 17/415 |
| Specification: | COMPENDIUM ADDENDUM 12/FNP 52 Add. 12/67 (METALS LIMITS) (2004); FAO JECFA Monographs 1 vol.1/199 |
From apps.who.int
GSFA Provisions for CALCIUM ACETATE
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 13.2 | Complementary foods for infants and young children |
GMP | Note 239 |
| 11.4 | Other sugars and syrups (e.g. xylose, maple syrup, sugar toppings) |
GMP | Note 258 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 6116 |
| IUPAC Name | calcium;diacetate |
| InChI | InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2 |
| InChI Key | VSGNNIFQASZAOI-UHFFFAOYSA-L |
| Canonical SMILES | CC(=O)[O-].CC(=O)[O-].[Ca+2] |
| Molecular Formula | Anhydrous:C4H6O4Ca |
| Wikipedia | calcium acetate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 158.166 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 25.5 |
| CACTVS Substructure Key Fingerprint | A A A D c Y 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 A 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 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 A = = |
| Topological Polar Surface Area | 80.3 |
| Monoisotopic Mass | 157.989 |
| Exact Mass | 157.989 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| 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 acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acids |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | 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 acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH. |
From ClassyFire