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EC number: 200-521-5
CAS number: 61-82-5
In the environmentally relevant pH range (ca 4-9) , the substance will
occur mainly as the non-ionised form (primary amine NH2), except at very
low pH where the NH3+ form may be present (>50% molar if pH < pKa; it is
generally assumed that a single species is present at pKa +/- 2 units).
Two fully reliable studies, performed according to OECD guideline and
under GLP, are available. Results were consistent, with a pKa of 4.0 for
the titration study at 20°C, and a pKa of 4.3 for the spectrophotometric
study at 25°C. Both are considered of equal value, so the average (4.15)
is retained as key data for purpose of CSA. Considering an accuracy of
0.1 unit, and that the reference temperature is 20°C, the result will
rounded down to the nearest decimal, i.e. 4.1.
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