Calcium Sorbate

Basic Info

FADB-China IDC0079
Substance NamePreservative
Substance Chinese Name防腐剂
Molecular NameCalcium Sorbate
Molecular Chinese Name山梨酸钙
2D StructureNo image
CAS Number7492-55-9
PubChem CID6433506
FormulaC12H14CaO4
IUPAC NameCalcium;(2E,4E)-hexa-2,4-dienoate
InChI KeyMCFVRESNTICQSJ-RJNTXXOISA-L
InChIInChI=1S/2C6H8O2.Ca/c2*1-2-3-4-5-6(7)8;/h2*2-5H,1H3,(H,7,8);/q;;+2/p-2/b2*3-2+,5-4+;
Canonical SMILES

CC=CC=CC(=O)[O-].CC=CC=CC(=O)[O-].[Ca+2]

Isomeric SMILES

C/C=C/C=C/C(=O)[O-].C/C=C/C=C/C(=O)[O-].[Ca+2]

CFM-ID 3.0URL Link
Related linksTransportation, Processing, Circulation
Addition PurposesAntiseptic
Molecular Synonyms
        
            CALCIUM SORBATE
        
            7492-55-9
        
            UNII-2P47R6817F
        
            2P47R6817F
        
            Calcium bis((2E,4E)-hexa-2,4-dienoate)
        
            W-104406
        
            Sorbic acid, calcium salt
        
            Calcium dihexa-2,4-dienoate
        
            HSDB 587
        
            Calcium (2E,4E)-hexa-2,4-dienoate
Data UploaderShuyu Ouyang
Update DateAug 12, 2019 09:50

Properties

Property NameProperty Value
Molecular Weight262.31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Complexity117
Monoisotopic Mass262.0517998
Exact Mass262.0517998
Formal Charge0
Heavy Atom Count17
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count3

Related Foods

FADB-China ID F0058
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References List of food additives that may be easily abused in food (first batch)
FADB-China ID F0060
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References List of food additives that may be easily abused in food (first batch)

Potential Illegal Additives

ID Structure Name Source PubChem Link


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Potassium sorbate		 

FRCD

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(E,E)-Hexa-2,4-dienoic acid		 

FRCD

Link


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(2E,4E)-hexa-2,4-dienoate		 

FRCD

Link


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(2E,4E)-2,4-Hexadienoic Acid		 

FRCD

Link


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Sodium Sorbate		 

FRCD

Link


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Potassium Sorbate		 

FRCD

Link


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(2E,4E)-2,4-Hexadienoic acid		 

FRCD

Link


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POTASSIUM SORBATE		 

FRCD

Link

References

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