Calcium sulphate
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by WHO:
General Information
| Chemical name | Calcium sulphate |
| E No. | E 516 |
| INS. | 516 |
| CAS number | 7778-18-9 |
| Group | No |
| Component of the group |
Group I, Additives (Group I) |
From webgate.ec.europa.eu
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 24497 |
| IUPAC Name | calcium;sulfate |
| InChI | InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 |
| InChI Key | OSGAYBCDTDRGGQ-UHFFFAOYSA-L |
| Canonical SMILES | [O-]S(=O)(=O)[O-].[Ca+2] |
| Molecular Formula | CaSO4· nH2O (n = 0 or 2) |
| Wikipedia | calcium sulfate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 136.134 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Complexity | 62.2 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A O A B 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 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 D 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 | 88.6 |
| Monoisotopic Mass | 135.914 |
| Exact Mass | 135.914 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| 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 | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Inorganic compounds |
|---|---|
| Superclass | Mixed metal/non-metal compounds |
| Class | Alkaline earth metal oxoanionic compounds |
| Subclass | Alkaline earth metal sulfates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkaline earth metal sulfates |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Alkaline earth metal sulfate - Inorganic calcium salt - Inorganic oxide - Inorganic salt |
| Description | This compound belongs to the class of inorganic compounds known as alkaline earth metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal. |
From ClassyFire