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Substance Name: Sodium dehydroacetate [NF]
RN: 4418-26-2
UNII: 8W46YN971G
InChIKey: YIOCQGHBBNGBND-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Mutation Data
  • Pharmaceutic Aid (Antimicrobial Preservative)
  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C8-H7-O4.Na

Molecular Weight

  • 190.129
 
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Names and Synonyms

Name of Substance

  • Sodium dehydroacetate
  • Sodium dehydroacetate [NF]

Synonyms

  • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium
  • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium salt
  • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt
  • 3-(1-Hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione, sodium salt
  • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium
  • 3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione sodium salt
  • 4-Hexenoic acid, 2-acetyl-5-hydroxy-3-oxo, delta-lactone, sodium derivative
  • Caswell No. 278A
  • CCRIS 1895
  • Dehydroacetic acid, sodium salt
  • DHA-S
  • DHA-sodium
  • DHN
  • EINECS 224-580-1
  • EPA Pesticide Chemical Code 027802
  • Harven
  • HSDB 4236
  • Kyselina dehydroacetova sodna sul
  • Kyselina dehydroacetova sodna sul [Czech]
  • New Side S 01
  • Prevan
  • Sodium 3-acetyl-6-methyl-2,4-pyrandione
  • Sodium 3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione
  • Sodium dehydroacetate
  • UNII-8W46YN971G

Systematic Names

  • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium
  • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium (1:1)
  • 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, monosodium salt
  • Sodium 1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate
  • Sodium dehydroacetate

Superlist Name

  • Sodium dehydroacetate

Registry Numbers

CAS Registry Number

  • 4418-26-2

FDA UNII

  • 8W46YN971G

Other Registry Numbers

  • 20330-10-3
  • 2106794-47-0
  • 56172-68-0
  • 6381-84-6
  • 71756-27-9
  • 73939-02-3
  • 74240-24-7
  • 78891-90-4

System Generated Number

  • 0004418262

Molecular Formulas

Molecular Formula

  • C8-H7-O4.Na

Molecular Formula Fragments

  • C8-H7-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

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

InChIKey

YIOCQGHBBNGBND-UHFFFAOYSA-N

Smiles

[Na+].CC(=O)[C-]1C(=O)OC(=CC1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 400mg/kg (400mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS

GASTROINTESTINAL: NAUSEA OR VOMITING
Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 69, 1950.
dog LDLo oral 452mg/kg (452mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 69, 1950.
mouse LD50 oral 1050mg/kg (1050mg/kg)   Journal of the American College of Toxicology. Vol. 4(3), Pg. 123, 1985.
rabbit LD50 oral 500mg/kg (500mg/kg)   Personal Communication from LONZA Ltd., CH-4002, Basel, SwitzerlandVol. 02JUN1980,
rat LD50 oral 500mg/kg (500mg/kg)   Journal of the American College of Toxicology. Vol. 4(3), Pg. 123, 1985.