Potassium benzoate

Basic Info

FADB-China IDC0106
Substance NamePreservative
Substance Chinese Name防腐剂
Molecular NamePotassium benzoate
Molecular Chinese Name苯甲酸钾
2D StructureNo image
CAS Number582-25-2
PubChem CID23661960
FormulaC7H5KO2
IUPAC NamePotassium;benzoate
InChI KeyXAEFZNCEHLXOMS-UHFFFAOYSA-M
InChIInChI=1S/C7H6O2.K/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
Canonical SMILES

C1=CC=C(C=C1)C(=O)[O-].[K+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[O-].[K+]

CFM-ID 3.0URL Link
Related linksTransportation, Processing, Circulation
Addition PurposesAntiseptic
Molecular Synonyms
        
            POTASSIUM BENZOATE
        
            582-25-2
        
            Potassium salt
        
            Benzoic acid potassium salt
        
            UNII-763YQN2K7K
        
            Potassium benzoate [NF]
        
            763YQN2K7K
        
            MFCD00013061
        
            Potassium benzoate (NF)
        
            Benzoic acid, potassium salt
        
Data UploaderShuyu Ouyang
Update DateAug 12, 2019 09:54

Properties

Property NameProperty Value
Molecular Weight160.21
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Complexity108
Monoisotopic Mass159.99266089
Exact Mass159.99266089
Formal Charge0
Heavy Atom Count10
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count2

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Potential Illegal Additives

ID Structure Name Source PubChem Link


No Image

Benzoic Acid


ToxCast & Tox21 Chemicals, OpenFoodTox, DrugBank, HPV EPA Chemicals, ToxinDB, T3DB, OECD HPV Chemicals


Link


No Image

Benzoic acid


ToxCast & Tox21 Chemicals, OpenFoodTox, DrugBank, HPV EPA Chemicals, ToxinDB, T3DB, OECD HPV Chemicals


Link

References

TitleDOI/PubMed/ISSN
List of food additives that may be easily abused in food (first batch)