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EC number: 943-947-3
CAS number: -
HPLC determinations for N-propylphthalimide:
The concentrations of the three vessels differed by 7% (validity
criterion given by OECD is met).
HPLC determinations for N-sec-butyl-phthalimide:
The concentrations of the three vessels differed by 4% (validity
criterion given by OECD is met).
HPLC determinations for N-butylphthalimide:
Using the SMILES code (section 4.2), the water solubilities of the
three, main components of the test item were estimated to be 370 mg/l
for N-propylphthalimide, 138 mg/l for N-secbutylphthalimide and 120 mg/l
for N-butylphthalimide (WSKOW v1.42, EPI Suite v4.11). The
experimentally obtained results in this study are in the same order of
magnitude for N-secbutylphthalimide and N-butylphthalimide, however,
they are significantly lower for Npropylphthalimide. The reason for this
discrepancy is most likely due to the low content of only 13.5%
N-propylphthalimide in the test item corresponding to 135 mg/l per test
vessel (instead of 1850 mg/l N-propylphthalimide, which is the
theoretical, initial loading for an OECD 105 test considering an
intended fivefold excess of substance in the test vessel by the
guideline). Furthermore, the three test item components with varying
contents in the test item were not separately dissolved in water but
together, which most probably led to competitive effects, especially
considering the structural similarities of the three, main components of
the test item.
The water solubilities of the three, main components of the test item
“Reaction mass of N-butylphthalimide and N-propylphthalimide and
N-sec-butylphthalimide” were determined according to TG OECD 105.
Several test vessels containing ultra-pure water mixed with test item in
great excess (initial amount of test item about 1 g per liter water),
were incubated and stirred for different periods of time at about 30 °C
(saturation phase), and then transferred to about 20 °C for 24 h
(equilibration phase). Samples were taken from the middle of the
solution by syringe, as undissolved test item swam on the surface of the
test solution. The concentrations of the three main components of the
test item in the clear aqueous phase were determined by HPLC.
Since the results after one, two and three days showed increasing
concentrations, the test was prolonged by using longer equilibration
times, and the concentrations were also determined after seven days.
No significant variation of the concentrations in the three respective
test vessels was observed after one, two and seven days of incubation at
30 °C (followed by 24 h equilibration at ca. 20 °C). Due to
significantly higher concentrations, test vessel three, which was
incubated at 30 °C for three days and then equilibrated at ca. 20 °C for
24 h, was considered an outlier and not used for further evaluation.
The water solubilities of the three, main components of the test item,
calculated as the mean of test vessels one, two and four, are 75.4 mg/L
for N-propylphthalimide, 97.8 mg/L for N-sec-butyl-phthalimide and 157
mg/L for N-butylphthalimide at pH values of 5.3 to 6.7 and ca. 20 °C.
The validity criterion was fulfilled.
The water solubilities of the three, main components of Reaction mass of
N-butylphthalimide and N-propylphthalimide and N-sec-butylphthalimide
have been determined in a GLP study according to OECD guideline 105.
Results per component (mean of three test vessels): 75.4 mg/l for
N-propylphthalimide, 97.8 mg/l for N-sec-butylphthalimide and 157 mg/l
for N-butylphthalimide at pH values of 5.3 to 6.7 and ca. 20 °C
(Klimisch 1, ACH 2017).
The substance consists of three components. The value of the component
with the highest water solubility has been used as key value as a
Results per component (mean of three test vessels):
N-butylphthalimide (CAS No 1515-72-6): 157 mg/l
N-sec-butylphthalimide (CAS No 10108-61-9): 97.8 mg/l
N-propylphthalimide (CAS No5323-50-2): 75.4 mg/l
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