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EC number: 204-101-2
CAS number: 115-70-8
The log Koc was calculated at the optimal pH for each regression and
additionally at pH values 4, 7 and 9, in order to see the variability at
different potential environmental conditions. The Koc values obtained at
different pH from both equations are listed in Table 1.
logKoc based on eq. (3)
logKoc based on eq. (5)
6 (optimal for eq. (3))
4.5 (optimal for eq. (5))
AEPD is a primary amine and acts as a base in aqueous solution. At
environmental conditions, it will be mainly present in protonated form,
i.e. positively charged. Three structurally similar substances can be
found in the training set for the model and one in the validation set.
The experimental and calculated log Koc values for these substances,
listed in Table 2, show that the model performs relatively well for
these substances. The difference between experimental and calculated
values remains below half a logarithmic unit in most cases and below one
unit in all cases. Since, no trend can be observed on which of the
equations gives better predictions, it is cautious to use both and
select the highest value as worst case for assessment.
Exp. log Koc
log Koc calc Eq. 20pHopt = 6
log Koc calc Eq. 24pHopt = 4.5
logKoc = 2.96 (model by Franco and Trapp, 2008)
There are no studies available investigating the
adsoption/desorption behaviour of 2-amino-2-ethyl-1,3-propanediol
(AEPD). The Koc was therefore estimated by calculation.
As primary amine, AEPD is partly present in its positively charged
form under environmental pH. The regression used for calculation takes
into account the adsorption of the charged and uncharged species. The
predicted log Koc was 2.96, indicating low adsorption potential.
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