Sodium sorbate

C6H7NaO2CAS 7757-81-5134.11 g/mol

Open in Covalent MOL file
O−ONa+
AlkeneCarboxylic acid

Properties

Molecular formula
C6H7NaO2
Molar mass
134.11 g/mol
Exact mass
134.0344 Da
logP
0.82Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Double bonds
E, EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
7757-81-5
SMILES
C/C=C/C=C/C([O-])=O.[Na+]
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.

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Names and synonyms

8 names
  • 2,4-Hexadienoic acid, sodium salt (1:1), (2E,4E)-
  • Sorbic acid, sodium salt
  • 2,4-Hexadienoic acid, sodium salt, (E,E)-
  • 2,4-Hexadienoic acid, sodium salt, (2E,4E)-
  • Sodium α-trans-γ-trans-sorbate
  • Sodium (E,E)-2,4-hexadienoate
  • (E,E)-2,4-Hexadienoic acid sodium salt
  • E 201

Work with Sodium sorbate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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.

Sorbic acid110-44-1Free acid Potassium sorbate24634-61-5Salt Calcium sorbate7492-55-9Salt 2,4-Hexadienoic acid, potassium salt (1:1)590-00-1Salt, stereo not defined

Similar compounds

Disodium fumarate17013-01-361 % similar Disodium maleate371-47-161 % similar Sodium fumarate5873-57-447 % similar Sodium fumarate7704-73-647 % similar Sodium acrylate7446-81-343 % similar Sodium polyacrylate9003-04-743 % similar Iron(II) fumarate141-01-542 % similar Calcium fumarate19855-56-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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