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Substance Name: Calcium sorbate
RN: 7492-55-9
UNII: 2P47R6817F
InChIKey: MCFVRESNTICQSJ-RJNTXXOISA-L

Molecular Formula

  • C6-H8-O2.1/2Ca

Molecular Weight

  • 262.317
 
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Names and Synonyms

Name of Substance

  • Calcium sorbate

Synonyms

  • 2,4-Hexadienoic acid, calcium salt
  • 2,4-Hexadienoic acid, calcium salt, (E,E)-
  • Calcium 2,4-hexadienoate, (E,E)-
  • EINECS 231-321-6
  • HSDB 587
  • Sorbic acid, calcium salt
  • UNII-2P47R6817F

Systematic Names

  • 2,4-Hexadienoic acid, calcium salt (2:1), (2E,4E)-
  • 2,4-Hexadienoic acid, calcium salt, (2E,4E)-
  • Calcium dihexa-2,4-dienoate

Superlist Name

  • Calcium sorbate

Registry Numbers

CAS Registry Number

  • 7492-55-9

FDA UNII

  • 2P47R6817F

Other Registry Number

  • 90550-09-7

System Generated Number

  • 0007492559

Molecular Formulas

Molecular Formula

  • C6-H8-O2.1/2Ca

Molecular Formula Fragments

  • C6-H8-O2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

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+;

InChIKey

MCFVRESNTICQSJ-RJNTXXOISA-L

Smiles

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