CALCIUM ALUMINIUM SILICATE
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Synonyms: | ALUMINIUM CALCIUM SILICATE, CALCIUM SILICOALUMINATE, SODIUM CALCIUM SILICOALUMINATE |
| Chemical Names: | CALCIUM ALUMINOSILICATE |
| CAS number: | 1327-39-5 |
| INS: | 556 |
| Functional Class: |
Food Additives ANTICAKING_AGENT |
From apps.who.int
Evaluations
| Evaluation year: | 2015 |
| Meeting: | 80 |
| Specs Code: | W |
| Comments: | The Committee did not receive any information. Consequently, the Committee decided to withdraw the tentative specifications. |
| Report: | TRS 995-JECFA 80/38 |
From apps.who.int
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 21881395 |
| IUPAC Name | dialuminum;dicalcium;dioxido(oxo)silane |
| InChI | InChI=1S/2Al.2Ca.5O3Si/c;;;;5*1-4(2)3/q2*+3;2*+2;5*-2 |
| InChI Key | IQDXNHZDRQHKEF-UHFFFAOYSA-N |
| Canonical SMILES | [O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Al+3].[Al+3].[Ca+2].[Ca+2] |
| Molecular Formula |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 514.529 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 0 |
| Complexity | 18.8 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A P A w A A B 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 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 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 | 316.0 |
| Monoisotopic Mass | 513.697 |
| Exact Mass | 513.697 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| 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 | 9 |
From Pubchem