Calcium sorbate
Properties
- Molecular formula
- C12H14CaO4
- Molar mass
- 262.32 g/mol
- Exact mass
- 262.0518 Da
- logP
- 0.82Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
- Double bonds
- E, E, E, EE/Z, in SMILES order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
7492-55-9SMILES
C/C=C/C=C/C([O-])=O.C/C=C/C=C/C([O-])=O.[Ca+2]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 2,4-Hexadienoic acid, calcium salt (2:1), (2E,4E)-
- Sorbic acid, calcium salt
- 2,4-Hexadienoic acid, calcium salt, (E,E)-
- 2,4-Hexadienoic acid, calcium salt, (2E,4E)-
- E 203
Work with Calcium sorbate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Calcium fumarate19855-56-261 % similar
Iron(II) fumarate141-01-542 % similar
Disodium fumarate17013-01-342 % similar
Disodium maleate371-47-142 % similar
Methyl 2,4-hexadienoate1515-80-639 % similar
Ethyl sorbate2396-84-135 % similar
Dibutyltin maleate78-04-634 % similar
Sodium fumarate5873-57-433 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.