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Substance Name: 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt, monohydrate
RN: 64039-28-7
InChIKey: AFIQQQWSAQPUQO-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Germicide, Bactericide, Disinfectant

Molecular Formula

  • C8-H7-O4.Na.H2-O

Molecular Weight

  • 208.1441
 
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Names and Synonyms

Synonym

  • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione, sodium salt, monohydrate

Systematic Name

  • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt, monohydrate

Registry Numbers

CAS Registry Number

  • 64039-28-7

Other Registry Number

  • 5895-64-7

System Generated Number

  • 0064039287

Molecular Formulas

Molecular Formula

  • C8-H7-O4.Na.H2-O

Molecular Formula Fragments

  • C8-H7-O4
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C8H7O4.Na.H2O/c1-4-3-6(10)7(5(2)9)8(11)12-4;;/h3H,1-2H3;;1H2/q-1;+1;

InChIKey

AFIQQQWSAQPUQO-UHFFFAOYSA-N

Smiles

Cc1cc(=O)[c-](c(=O)o1)C(=O)C.O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 706mg/kg (706mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 57, 1950.