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Substance Name: Octanoic acid, barium salt (2:1)
RN: 4696-54-2
InChIKey: PJUKKJYOSBWEQO-UHFFFAOYSA-L

Molecular Formula

  • C8-H16-O2.1/2Ba

Molecular Weight

  • 423.739
 
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Names and Synonyms

Synonyms

  • Barium caprylate
  • Barium octanoate
  • Barium octoate
  • EINECS 225-165-8
  • Nikkaocthix Barium
  • Octanoic acid, barium salt

Systematic Names

  • Barium octanoate
  • Octanoic acid, barium salt
  • Octanoic acid, barium salt (2:1)

Registry Numbers

CAS Registry Number

  • 4696-54-2

Related Registry Number

  • 124-07-2 (Parent)

System Generated Number

  • 0004696542

Molecular Formulas

Molecular Formula

  • C8-H16-O2.1/2Ba

Molecular Formula Fragments

  • Ba
  • C8-H16-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C8H16O2.Ba/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2

InChIKey

PJUKKJYOSBWEQO-UHFFFAOYSA-L

Smiles

C(CCCCC)CC(=O)[O-].C(CCCCC)CC(=O)[O-].[Ba+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1250mg/kg (1250mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(11), Pg. 91, 1974.
mouse LD50 oral 1100mg/kg (1100mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(11), Pg. 91, 1974.
rat LD50 oral 1gm/kg (1000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(11), Pg. 91, 1974.