Registration Dossier
Registration Dossier
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EC number: 905-898-6 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The log pow was determined by QSAR calculation to -1.0
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1
- at the temperature of:
- 25 °C
Additional information
The log pow values are used for for risk assessment to estimate distribution into environmental compartments, and the estimation of biocencentration factor, BCF. For Classification and Labelling high log pow values are relevant to determine long-term effects in environment. For this substance the log pow values estimated are low for all three constituents. This is consistent with their high water solubility. The impact of any deviations from measured values on risk assessment will be insignificant. In this range there is no impact on Classification and Labelling
The estimated values are therefore considered adequate.
In a multiconstituent substance one could consider to calculate a mean value of the contribution of each constituent to an overall log pow value for the substance. This is not really meaningful, since each constituent will partition to organic phase or water individually.
In this case since the log pow value measured for the most abundant constituent 2,2',2''-nitrilotriethanol in the training set of the model is the highest value and represents the worst case of partitioning to organic phase this value will be taken as representative for the substance “Reaction mass of 2,2',2''-nitrilotriethanol and 2,2'-[[2-[(2-hydroxyethyl)amino]ethyl]imino]bisethanol and 2,2'-iminodiethanol”.
Since the pKa value of the most abundant constituent 2,2',2''-nitrilotriethanol is 7.86, one can expect both charged and neutral species of this component to be present at environmentally relevant pH ( 4 – 9). Since the log pow of the charged species are expected to be lower than for the neutral, the log pow of the neutral constituent will be reported for the substance as a worst case.
Conclusion
The log pow ofReaction mass of 2,2',2''-nitrilotriethanol and 2,2'-[[2-[(2-hydroxyethyl)amino]ethyl]imino]bisethanol and 2,2'-iminodiethanol is -1.00 at pH ~8. This value will also be considered applicable for the environmentally relevant pH range ( 4 – 9) in the risk assessment.
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