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EC number: 203-444-5 | CAS number: 106-93-4
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Hydrolysis
Administrative data
Link to relevant study record(s)
Description of key information
Sárvári, 2010a, was selected as the key information for this endpoint as it was conducted according to the OECD 111 guideline with a supporting preliminary study and was the most recent study available. Based upon the study guideline, date of the study report and depth of reporting the study was awarded the reliability score of 1 according to the criteria of Klimisch et al, 1997.
Although the registered substance was found to be almost stable at pH 7, hydrolysis was observed at pH 4 and 9 and hydrolysis rate was directly related to a rise in temperature.
Half-lives were reported between 141 hours at 67 ºC and 9136 hours at 25 ºC for test solutions at pH 4, and between 114 hours at 67 ºC and 20546 hours at 25 ºC for test solutions at pH 9.
Key value for chemical safety assessment
Additional information
The key information for hydrolysis is taken from the definitive study of Sárvári, 2010a, which reported (pseudo-)first order half-lives in water as follows:
pH | Temp. | Hydrolysis rate constant | Half-life | Remarks (e.g. regression equation, r², DT90) |
4 | 25 °C | 0.000076 h-1 | 9136 h | 1/T, 1/K: 0.003354; 1n k: -9.487 |
4 | 50 °C | 0.00104 h-1 | 669 h | regr. coefficient: 0.9504 |
4 | 67 °C | 0.00492 h-1 | 141 h | regr. coefficient: 0.9869 |
9 | 25 °C | 0.000034 h-1 | 20546 h | 1/T, 1/k: 0.003354; 1n k: -10.30 |
9 | 50 °C | 0.00087 h-1 | 794 h | regr. coefficient: 0.9515 |
9 | 67 °C | 0.00607 h-1 | 114 h | regr. coefficient: 0.9672 |
These definitive results were based upon the findings of the preliminary study (Sárvári, 2010b) which reported the need for the definitive study and the following results:
pH | Sampling time, hour | Concentration of Test Item, µg/ml | Measured pH | ||
Results of the separate test vessels | Mean with the 95% cionfidence intervals | End/Start, % | |||
4 | 0 (Start) | Control buffer | - | 4.02 | |
226.7 | 228.5 ± 3.8 | - | 4.04 | ||
224.3 | |||||
231 | |||||
231.6 | |||||
229 | |||||
120 | Control buffer | - | 4.01 | ||
187.7 | 178.9 ± 8.7 | 78 | 4.06 | ||
182 | |||||
179.2 | |||||
176.9 | |||||
168.6 | |||||
7 | 0 (Start) | Control buffer | - | 7 | |
136 | 136.9 ± 1.7 | - | 6.99 | ||
135.3 | |||||
136.8 | |||||
138.7 | |||||
137.8 | |||||
120 | Control buffer | - | 7 | ||
134 | 134.2 ± 6.7 | 98 | 6.99 | ||
139 | |||||
137.1 | |||||
126.7 | |||||
not reported | |||||
9 | 0 (Start) | Control buffer | - | 8.99 | |
199.1 | 202.3 ± 3.4 | - | 9 | ||
201 | |||||
205.7 | |||||
204.6 | |||||
200.9 | |||||
120 | Control buffer | - | 9 | ||
173.7 | 172.5 ± 3.4 | 85 | 9.01 | ||
174.8 | |||||
167.7 | |||||
173.3 | |||||
172.9 |
A large amount of supporting information is available for this endpoint. The results of these additional studies are summarised below:
Source | Temperature (ºC) | pH | Hydrolysis result | ||||
rate constant | Half life | ||||||
Anon, 1984 | 25 | 5 | 531 days (zero order kinetics) 1062 days (first order kinetics) | ||||
7 | 1883 days (zero order kinetics) 1867 days (first order kinetics) | ||||||
9 | 3436 days (zero order kinetics) 3352 days (first order kinetics) | ||||||
45 | 5 | 208 days (zero order kinetics) 161 days (first order kinetics) | |||||
7 | 202 days (zero order kinetics) 173 days (first order kinetics) | ||||||
9 | 169 days (zero order kinetics) 137 days (first order kinetics) | ||||||
Ehrenberg et al, 1974 | 20 | 7 | 0.000006 hours | 14 years (order not reported) | |||
37 | 7 | 0.000076 hours | |||||
Vogel & Reinhard, 1986 | 25 | 7.5 | 8.9 seconds | 2.5 years (95% CI 2.2-2.8) (order not reported) | |||
Haag & Mill, 1988 | 25 | 7.5 | 1000 days (order not reported) | ||||
Hine & Langford, 1956 | No values reported. | ||||||
Weintraub et al, 1986 | 15 | 2.2 years (order not reported) | |||||
22 | 1.5-2 years (order not reported) | ||||||
Jungclaus & Cohen, 1986 | 15 | 15 years (order not reported) | |||||
20 | 8 years (order not reported) |
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