Registration Dossier
Registration Dossier
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EC number: 201-137-0 | CAS number: 78-73-9
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Partition coefficient:
-3.77 (OECD 123, shake-flask method, Choline chloride)
-2.25 (OECD 107, shake-flask method, Choline hydroxide)
Key value for chemical safety assessment
Additional information
Provided that the test substance a salt, in aqueous solution it is present in the dissociated form: choline and bicarbonate ions.
As reported in "Guidance on information requirements and chemical safety assessment Chapter R.7a: Endpoint specific guidance (Version 2.0, November 2012)" R.7.1.8.4 about Partition Coefficient”: The study does not need to be conducted if the substance is inorganic.
Therefore for bicarbonate ions it is not necessary to determine the partition coefficient.
As far as the partition coefficient n-octanol/water of choline ion is concerned, the information requirements should refer to the LogPow of the test substance as is. Since the choline cation is organic, the logPow should be however taken into consideration.
There are two experimental results available for choline salts with inorganic anions, Choline chloride and Choline hydroxide. For both anions, a clearly negative logPow is to be expected. Due to its organic, albeit ionic structure, it is reasonable to assume that the choline cation has a higher solubility in octanol than the corresponding anions. Hence the height of the available logPow, i.e. -3.77 (Choline chloride) and -2.25 (Choline hydroxide), is mainly attributed to the organic cation and can be considered to be transferrable as a worst case scenario without modifications to the choline cation of Choline bicarbonate.
This approach is considered reasonable as the value of the Pow is in a magnitude clearly demonstrating that no bioaccumulative potential or relevant dermal resorption via the stratum corneum is given. So, in this case, the read-across for a physico-chemical property is justified, the tonnage-driven data requirements under REACH are met and no further testing is required.
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