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4696-54-2

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Basic Information
CAS No.: 4696-54-2
Name: barium octanoate
Molecular Structure:
Molecular Structure of 4696-54-2 (barium octanoate)
Formula: C8H16 O2 . 1/2 Ba
Molecular Weight: 425.82
Synonyms: Octanoicacid, barium salt (8CI,9CI); Barium caprylate; Barium octanoate; Barium octoate
EINECS: 225-165-8
Density: g/cm3
Melting Point: 16.5oC
Boiling Point: 239.3°Cat760mmHg
Flash Point: 107.4°C
Safety: Moderately toxic by ingestion.
PSA: 80.26000
LogP: 2.19360
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Chemistry

Product Name: Barium caprylate (CAS NO.4696-54-2)


Molecular Formula: C16H30BaO4
Molecular Weight: 423.734g/mol
Mol File: 4696-54-2.mol
Einecs: 225-165-8
Boiling point: 239.3 °C at 760 mmHg
Flash Point: 107.4 °C
Enthalpy of Vaporization: 50.32 kJ/mol
Vapour Pressure: 0.022 mmHg at 25°C
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Barium caprylate (CAS NO.4696-54-2):
  IUPAC Name: barium(2+); octanoate
  Canonical SMILES: CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ba+2]
  InChI: 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
Product Categories: Organic-metal salt

Toxicity Data With Reference

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.

Consensus Reports

Barium and its compounds are on the Community Right-To-Know List.

Safety Profile

Moderately toxic by ingestion.

Specification

 Barium caprylate ,its CAS NO. is 4696-54-2,the synonyms is Barium octanoate ; Barium octoate ; EINECS 225-165-8 ; Nikkaocthix Barium ; Octanoic acid, barium salt ; Octanoic acid, barium salt (2:1) .