Registration Dossier
Registration Dossier
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EC number: 468-740-0 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The partition coefficient (log Kow) of MTDID 3285 was determined to be 0.540 for the cation and 5.44 for the anion at 22.0 (±1) °C and at a pH of 7.0 (±0.2) buffered using 1M Ammonium acetate (OPPTS 830.7550).
Key value for chemical safety assessment
Additional information
MTDID 3285 is a salt consisting of a cation and an anion.The partition coefficient n-octanol/water of MTDID 3285 was measured according to OPPTS 830.7550 “Partition Coefficient (n-Octanol/Water), Shake Flask Method” and was conducted under GLP.MTDID 3285 was shaken in octonol/water mixture at room temperature for approximately 17.5 hours to allow equilibrium partition between the two phases. The aqueous and n-octanol phases were removed by centrifuging. The cation and anion in each phase were analyzed and reported separately.
A previous study conducted in 2005 following OECD TG 107 estimated the partition coefficient from the quotient of the n-octonol solubility and the water solubility. The octonol solubility was ≥ 800 g/L for the cation and ≥ 600 g/L for the anion. The water solubility was 7.4 g/L for the cation and 1.7 g/L for the anion. Pow values of ≥ 110 and ≥ 350 were reported based on cation and anion, respectively. However, MTDID 3285 dissociates on contact with water, but it is not expected to dissociate in n-octanol. A solubility ratio is not an appropriate method for determining partitioning coefficient of ionic compounds that dissociate extensively in water.
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