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EC number: 221-518-5 | CAS number: 3130-19-6
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Hydrolysis
Administrative data
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 26 October 2017 to 08 December 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- - For the determination of the concentrations of the test material in the different measuring cylinders at different time intervals, samples were taken under nitrogen atmosphere and measured undiluted by means of HPLC with UV-detection.
- Whenever samples were measured also standard solutions freshly prepared from the test material in acetonitrile and blank buffer solutions were measured for verification of the analytical method - Buffers:
- - The buffer solutions used for pH 4, 7 and 9 were:
pH 4: acetic acid (0.05 mol/L) / sodium acetate (0.01 mol/L) 1:1 v/v
pH 7:
Solution A: potassium dihydrogen phosphate (0.07 mol/L).
Solution B: di-potassium hydrogen phosphate (0.07 mol/L).
Buffer solution: 306 mL solution B + 194 mL solution A
pH 9: ammoniac 25 % (14 mol/L) / ammonium chloride (0.05 mol/L) 1:1 v/v (adjusted to the pH with HCl (1 mol/L))
- The pH value of each buffer solution was checked with a calibrated pH meter to a precision of 0.1. - Details on test conditions:
- - The study was performed in measuring flasks, which were dried in a drying chamber at 200 °C for 48 hours, under dark and sterile conditions (under inert atmosphere) in temperature controlled water baths.
- The test material was dissolved in acetonitrile and applied into the different buffer solutions under nitrogen atmosphere.
- Preliminary test (Tier 1): The preliminary test was carried out at 50 ± 0.5 °C and pH values of 4.0, 7.0 and 9.0, respectively, in duplicate. The concentration of the test material in the test solutions was 332.4 mg/L. Due to the fact that the test material proved to be unstable at all three pH values further kinetic tests (Tier 2) were carried out.
- Hydrolysis of unstable substances (Tier 2): Due to the fact that the test material was unstable at all three pH values further kinetic tests (Tier 2) were carried out at temperatures of 20, 25 and 30 °C. At each pH-value and each temperature at least two parallel tests (a and b) were performed. Each reaction solution was analysed in time intervals, which were set up to allow at least six data points between 10 and 90 % hydrolysis to be measured. - Duration:
- 5.8 h
- pH:
- 4
- Temp.:
- 20 °C
- Initial conc. measured:
- >= 289.1 - <= 308.4 mg/L
- Duration:
- 4.8 h
- pH:
- 4
- Temp.:
- 25 °C
- Initial conc. measured:
- >= 270.9 - <= 293.9 mg/L
- Duration:
- 4 h
- pH:
- 4
- Temp.:
- 30 °C
- Initial conc. measured:
- >= 297.6 - <= 307.6 mg/L
- Duration:
- 127.1 h
- pH:
- 7
- Temp.:
- 20 °C
- Initial conc. measured:
- >= 317.1 - <= 320.3 mg/L
- Duration:
- 78.5 h
- pH:
- 7
- Temp.:
- 25 °C
- Initial conc. measured:
- >= 299.7 - <= 313.9 mg/L
- Duration:
- 79.3 h
- pH:
- 7
- Temp.:
- 30 °C
- Initial conc. measured:
- >= 274.6 - <= 286.8 mg/L
- Duration:
- 98.7 h
- pH:
- 9
- Temp.:
- 20 °C
- Initial conc. measured:
- >= 311.7 - <= 314.6 mg/L
- Duration:
- 23.6 h
- pH:
- 9
- Temp.:
- 25 °C
- Initial conc. measured:
- >= 288.6 - <= 311.9 mg/L
- Duration:
- 23.1 h
- pH:
- 9
- Temp.:
- 30 °C
- Initial conc. measured:
- >= 297.1 - <= 306.6 mg/L
- Number of replicates:
- The test was performed in duplicate
- Positive controls:
- no
- Negative controls:
- no
- Preliminary study:
- TIER 1: The preliminary test at pH 4, 7 and 9 was performed at a temperature of 50 °C. Samples were taken and measured after 5 and 101 hours. The nominal start concentration of the test material was 332.4 mg/L. It was observed, that the test material was hydrolysed by more than 10 % at all three pH values after 5 hours. Thus, Tier 2 was performed for all three pH values.
- Test performance:
- The HPLC-method was checked several times on every day that samples of the tests were taken and measured. The recovery rates of the standard solutions in acetonitrile range from 91.5 to 109.2 % and show a sufficient accuracy of the analytical method.
- Transformation products:
- not specified
- Key result
- pH:
- 4
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.178 h-1
- DT50:
- 3.9 h
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.292 h-1
- DT50:
- 2.4 h
- Key result
- pH:
- 4
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0.379 h-1
- DT50:
- 1.8 h
- Key result
- pH:
- 7
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.01 h-1
- DT50:
- 70.4 h
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.013 h-1
- DT50:
- 52.7 h
- Key result
- pH:
- 7
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0.018 h-1
- DT50:
- 38.3 h
- Key result
- pH:
- 9
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0.059 h-1
- DT50:
- 11.9 h
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.07 h-1
- DT50:
- 10.1 h
- Key result
- pH:
- 9
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0.069 h-1
- DT50:
- 10 h
- Details on results:
- TIER 2 (pH 4)
- For the test at pH 4 and 20 °C a nominal concentration of the test material in the buffer solution of 331.8 mg/L was used. The degree of hydrolysis for the tests a and c at the respective sampling times was calculated in comparison to the measured c0-value at t = 0 h. Results can be seen in Table 1. The calculated results of the measurements at pH 4 at 20 °C are:
6a: kobs = 0.168 h^-1, t0.5 = 4.1 h
6b: kobs = 0.187 h^-1, t0.5 = 3.7 h
- For the test at pH 4 and 25 °C a concentration of the test material in the buffer solution of 333.4 mg/L was used. The degree of hydrolysis for the tests a and b at the respective sampling times was calculated in comparison to the measured c0-value at t = 0 h. Results can be seen in Table 2. The results of the measurements at pH 4 at 25 °C are:
14a: kobs = 0.297 h^-1, t0.5 = 2.3 h
14b: kobs = 0.287 h^-1, t0.5 = 2.4 h
- For the test at pH 4 and 30 °C a concentration of the test material in the buffer solution of 333.9 mg/L was used. The degree of hydrolysis for the tests a and b at the respective sampling times was calculated in comparison to the measured c0-value at t = 0 h. Results can be seen in Table 3. The results of the measurements at pH 4 at 30 °C are:
10a: kobs = 0.375 h^-1, t0.5 = 1.8 h
10b: kobs = 0.383 h^-1, t0.5 = 1.8 h
- Calculation of the Arrhenius parameters for pH 4 can be seen in Table 4.
TIER 2 (pH 7)
- For the test at pH 7 and 20 °C a concentration of the test material in the buffer solution of 331.8 mg/L was used. The degree of hydrolysis for the tests a and b at the respective sampling times was calculated in comparison to the measured c0-value at t = 0 h. Results can be seen in Table 5. The results of the measurements at pH 7 at 20 °C are:
7a: kobs = 0.010 h^-1, t0.5 = 69.4 h
7b: kobs = 0.010 h^-1, t0.5 = 71.3 h
- For the test at pH 7 and 25 °C a concentration of the test material in the buffer solution of 333.4 mg/L was used. The degree of hydrolysis for the tests a and b at the respective sampling times was calculated in comparison to the measured c0-value at t = 0 h. Results can be seen in Table 6. The results of the measurements at pH 7 at 25 °C are:
15a: kobs = 0.013 h^-1, t0.5 = 52.9 h
15b: kobs = 0.013 h^-1, t0.5 = 52.5 h
- For the test at pH 7 and 30 °C a concentration of the test material in the buffer solution of 333.9 mg/L was used. The degree of hydrolysis for the tests a and b at the respective sampling times was calculated in comparison to the measured c0-value at t = 0 h. Results can be seen in Table 7. The results of the measurements at pH 7 at 30 °C are:
11a: kobs = 0.018 h^-1, t0.5 = 38.0 h
11b: kobs = 0.018 h^-1, t0.5 = 38.5 h
- Calculation of the Arrhenius parameters for pH 7 can be seen in Table 8.
TIER 2 (pH 9)
- For the test at pH 9 and 20 °C a concentration of the test material in the buffer solution of 331.8 mg/L was used. The degree of hydrolysis for the tests a and b at the respective sampling times was calculated in comparison to the measured c0-value at t = 0 h. Results can be seen in Table 9. The results of the measurements at pH 9 at 20 °C are:
8a: kobs = 0.061 h^-1, t0.5 = 11.4 h
8b: kobs = 0.056 h^-1, t0.5 = 12.4 h
- For the test at pH 9 and 25 °C a concentration of the test material in the buffer solution of 333.4 mg/L was used. The degree of hydrolysis for the tests a and b at the respective sampling times was calculated in comparison to the measured c0-value at t = 0 h. Results can be seen in Table 10. The results of the measurements at pH 9 at 25 °C are:
16a: kobs = 0.068 h^-1, t0.5 = 10.3 h
16b: kobs = 0.071 h^-1, t0.5 = 9.8 h
- For the test at pH 9 and 30 °C a concentration of the test material in the buffer solution of 333.9 mg/L was used. The degree of hydrolysis for the tests a and b at the respective sampling times was calculated in comparison to the measured c0-value at t = 0 h. Results can be seen in Table 11. The results of the measurements at pH 9 at 30 °C are:
21c: kobs = 0.070 h^-1, t0.5 = 9.9 h
12d: kobs = 0.068 h^-1, t0.5 = 10.1 h
- Calculation of the Arrhenius parameters for pH 9 can be seen in Table 12. - Validity criteria fulfilled:
- yes
- Conclusions:
- At pH 4 average half-lives were 3.9, 2.4 and 1.8 hours at 20, 25 and 30 °C, respectively. At pH 7 average half-lives were 70.4, 52.7 and 38.3 hours at 20, 25 and 30 °C, respectively. At pH 9 average half-lives were 11.9, 10.1 and 10 hours at 20, 25 and 30 °C, respectively.
- Executive summary:
The hydrolysis of the test material as a function of pH was investigated in accordance with the standardised guidelines OECD 111 and EU Method C.7 under GLP conditions.
The preliminary test at pH 4, 7 and 9 was performed at a temperature of 50 °C. Samples were taken and measured after 5 and 101 hours. The nominal start concentration of the test material was 332.4 mg/L. It was observed, that the test material was hydrolysed by more than 10 % at all three pH values after 5 hours. Thus, Tier 2 was performed for all three pH values.
The half-life values of the test material were determined at pH 4, 7 and 9 at 20, 25 and 30 °C using HPLC. The test was performed in duplicate
At pH 4 average half-lives were 3.9, 2.4 and 1.8 hours at 20, 25 and 30 °C, respectively. At pH 7 average half-lives were 70.4, 52.7 and 38.3 hours at 20, 25 and 30 °C, respectively. At pH 9 average half-lives were 11.9, 10.1 and 10 hours at 20, 25 and 30 °C, respectively.
Reference
Table 1: Results of Tier 2 at pH 4 and 20 °C
Sample no. |
t[h] |
Measuredct[mg/L] |
lnc0/ct |
Degree of hydrolysis [%] |
6a-0 |
0 |
289.1 |
-- |
-- |
6a-1 |
0.8 |
256.8 |
0.119 |
11.2 |
6a-2 |
1.6 |
241.7 |
0.179 |
16.4 |
6a-3 |
2.8 |
186.0 |
0.441 |
35.7 |
6a-4 |
3.5 |
167.5 |
0.546 |
42.1 |
6a-5 |
4.1 |
146.9 |
0.677 |
49.2 |
6a-6 |
4.7 |
136.6 |
0.750 |
52.8 |
6a-7 |
5.3 |
126.0 |
0.830 |
56.4 |
6a-8 |
5.8 |
114.1 |
0.929 |
60.5 |
6b-0 |
0 |
308.4 |
-- |
-- |
6b-1 |
0.7 |
261.2 |
0.166 |
15.3 |
6b-2 |
1.5 |
232.7 |
0.282 |
24.5 |
6b-3 |
2.7 |
179.8 |
0.539 |
41.7 |
6b-4 |
3.3 |
159.6 |
0.659 |
48.3 |
6b-5 |
3.9 |
139.9 |
0.791 |
54.6 |
6b-6 |
4.5 |
126.2 |
0.894 |
59.1 |
6b-7 |
5.1 |
121.3 |
0.933 |
60.7 |
6b-8 |
5.7 |
103.0 |
1.097 |
66.6 |
Table 2: Results of Tier 2 at pH 4 and 25 °C
Sample no. |
t[h] |
Measuredct[mg/L] |
lnc0/ct |
Degree of hydrolysis [%] |
14a-0 |
0.0 |
270.9 |
-- |
-- |
14a-1 |
0.8 |
227.0 |
0.177 |
16.2 |
14a-2 |
1.3 |
197.7 |
0.315 |
27.0 |
14a-3 |
1.8 |
167.6 |
0.480 |
38.1 |
14a-4 |
2.3 |
141.1 |
0.652 |
47.9 |
14a-5 |
2.8 |
127.0 |
0.757 |
53.1 |
14a-6 |
3.3 |
109.2 |
0.909 |
59.7 |
14a-7 |
4.8 |
68.8 |
1.3710 |
74.6 |
14b-0 |
0.0 |
293.9 |
-- |
-- |
14b-1 |
0.5 |
261.9 |
0.115 |
10.9 |
14b-2 |
1.0 |
233.7 |
0.229 |
20.5 |
14b-3 |
1.5 |
199.6 |
0.387 |
32.1 |
14b-4 |
2.0 |
171.4 |
0.539 |
41.7 |
14b-5 |
2.5 |
150.1 |
0.672 |
48.9 |
14b-6 |
3.0 |
129.6 |
0.819 |
55.9 |
14b-7 |
4.5 |
84.0 |
1.252 |
71.4 |
Table 3: Results of Tier 2 at pH 4 and 30 °C
Sample no. |
t[h] |
Measuredct[mg/L] |
lnc0/ct |
Degree of hydrolysis [%] |
10a-0 |
0.0 |
297.6 |
-- |
-- |
10a-1 |
0.7 |
207.2 |
0.362 |
30.4 |
10a-2 |
1.4 |
160.0 |
0.621 |
46.2 |
10a-3 |
1.9 |
139.8 |
0.755 |
53.0 |
10a-4 |
2.3 |
122.6 |
0.886 |
58.8 |
10a-5 |
2.5 |
108.6 |
1.008 |
63.5 |
10a-6 |
2.8 |
95.3 |
1.139 |
68.0 |
10a-7 |
3.2 |
84.6 |
1.257 |
71.6 |
10a-8 |
4.0 |
56.7 |
1.657 |
80.9 |
10b-0 |
0.0 |
307.6 |
-- |
-- |
10b-1 |
0.5 |
209.0 |
0.387 |
32.1 |
10b-2 |
1.2 |
163.5 |
0.632 |
46.9 |
10b-3 |
1.7 |
140.9 |
0.781 |
54.2 |
10b-4 |
2.1 |
128.0 |
0.877 |
58.4 |
10b-5 |
2.3 |
107.0 |
1.056 |
65.2 |
10b-6 |
2.6 |
97.5 |
1.149 |
68.3 |
10b-7 |
3.0 |
84.7 |
1.290 |
72.5 |
10b-8 |
4.0 |
55.8 |
1.707 |
81.9 |
Table 4: Calculation of the Arrhenius Parameters for pH 4
T[°C] |
T[K] |
1/T[1/K] |
kobs[h-1] |
lnkobs |
20 |
293.15 |
0.00341 |
0.168 |
-1.786 |
20 |
293.15 |
0.00341 |
0.187 |
-1.679 |
25 |
298.15 |
0.00335 |
0.297 |
-1.213 |
25 |
298.15 |
0.00335 |
0.287 |
-1.248 |
30 |
303.15 |
0.00330 |
0.375 |
-0.981 |
30 |
303.15 |
0.00330 |
0.383 |
-0.961 |
lnA |
21.4 |
A[h-1] |
2 x 109 |
|
-EA/R |
-6774.1 |
EA[kJ/mol] |
56.3 |
Table 5: Results of Tier 2 at pH 7 and 20 °C
Sample no. |
t[h] |
Measuredct[mg/L] |
lnc0/ct |
Degree of hydrolysis [%] |
7a-0 |
0.0 |
317.1 |
-- |
-- |
7a-1* |
1.0 |
307.0 |
0.032 |
3.2 |
7a-2* |
2.0 |
304.8 |
0.040 |
3.9 |
7a-3* |
3.0 |
299.8 |
0.056 |
5.5 |
7a-4* |
7.0 |
298.1 |
0.062 |
6.0 |
7a-5 |
24.8 |
261.2 |
0.194 |
17.7 |
7a-6 |
27.1 |
252.7 |
0.227 |
20.3 |
7a-7 |
31.1 |
246.4 |
0.253 |
22.3 |
7a-8 |
47.3 |
189.3 |
0.516 |
40.3 |
7a-9 |
51.1 |
180.7 |
0.562 |
43.0 |
7a-10 |
54.4 |
168.6 |
0.562 |
46.9 |
7a-11 |
122.1 |
95.2 |
1.203 |
70.0 |
7a-12 |
127.1 |
92.3 |
1.234 |
70.9 |
7b-0 |
0.0 |
320.3 |
-- |
-- |
7b-1* |
0.6 |
309.0 |
0.036 |
3.5 |
7b-2* |
1.6 |
303.1 |
0.055 |
5.4 |
7b-3* |
2.6 |
302.3 |
0.058 |
5.6 |
7b-4* |
-- |
-- |
-- |
-- |
7b-5 |
24.3 |
263.2 |
0.196 |
17.8 |
7b-6 |
26.7 |
250.4 |
0.246 |
21.8 |
7b-7 |
30.7 |
249.7 |
0.249 |
22.1 |
7b-8 |
46.8 |
189.9 |
0.523 |
40.7 |
7b-9 |
50.7 |
173.7 |
0.602 |
45.2 |
7b-10 |
54.0 |
169.4 |
0.602 |
46.6 |
7b-11 |
121.7 |
96.3 |
1.192 |
69.6 |
7b-12 |
126.7 |
94.6 |
1.210 |
70.2 |
Table 6: Results of Tier 2 at pH 7 and 25 °C
Sample no. |
t[h] |
Measuredct[mg/L] |
lnc0/ct |
Degree of hydrolysis* [%] |
15a-0 |
0.0 |
299.7 |
-- |
-- |
15a-1 |
23.3 |
251.3 |
0.176 |
16.2 |
15a-2 |
27.7 |
241.3 |
0.217 |
19.5 |
15a-3 |
31.5 |
224.8 |
0.288 |
25.0 |
15a-4 |
47.3 |
190.5 |
0.453 |
36.4 |
15a-5 |
51.5 |
179.9 |
0.511 |
40.0 |
15a-6 |
55.5 |
170.1 |
0.567 |
43.3 |
15a-7 |
71.3 |
138.0 |
0.776 |
54.0 |
15a-8 |
75.5 |
127.3 |
0.857 |
57.5 |
15a-9 |
78.5 |
120.2 |
0.913 |
59.9 |
15b-0 |
0.0 |
313.9 |
-- |
-- |
15b-1 |
23.1 |
250.7 |
0.225 |
20.1 |
15b-2 |
27.6 |
239.9 |
0.269 |
23.6 |
15b-3 |
31.4 |
225.7 |
0.330 |
28.1 |
15b-4 |
47.2 |
185.3 |
0.527 |
41.0 |
15b-5 |
51.4 |
177.0 |
0.573 |
43.6 |
15b-6 |
55.4 |
167.3 |
0.629 |
46.7 |
15b-7 |
71.2 |
133.8 |
0.853 |
57.4 |
15b-8 |
75.4 |
127.8 |
0.899 |
59.3 |
15b-9 |
78.4 |
120.2 |
0.960 |
61.7 |
Table 7: Results of Tier 2 at pH 7 and 30 °C
Sample no. |
t[h] |
Measuredct[mg/L] |
lnc0/ct |
Degree of hydrolysis* [%] |
11a-0 |
0.0 |
274.6 |
-- |
-- |
11a-1* |
2.4 |
280.1 |
-0.020 |
-2.0 |
11a-2* |
7.3 |
277.5 |
-0.011 |
-1.1 |
11a-3 |
24.3 |
211.8 |
0.260 |
22.9 |
11a-4 |
27.4 |
196.7 |
0.333 |
28.4 |
11a-5 |
31.7 |
182.9 |
0.406 |
33.4 |
11a-6 |
48.2 |
143.6 |
0.648 |
47.7 |
11a-7 |
52.7 |
127.3 |
0.769 |
53.6 |
11a-8 |
56.3 |
121.9 |
0.813 |
55.6 |
11a-9 |
73.7 |
86.0 |
1.160 |
68.7 |
11a-10 |
79.3 |
75.8 |
1.287 |
72.4 |
11b-0 |
0.0 |
286.8 |
-- |
-- |
11b-1* |
2.2 |
466.2 |
-0.486 |
-62.6 |
11b-2* |
7.1 |
277.4 |
0.033 |
3.3 |
11b-3 |
24.0 |
218.5 |
0.272 |
23.8 |
11b-4 |
27.2 |
203.2 |
0.345 |
29.2 |
11b-5 |
31.4 |
189.0 |
0.417 |
34.1 |
11b-6 |
47.9 |
146.5 |
0.672 |
48.9 |
11b-7 |
52.4 |
134.6 |
0.756 |
53.1 |
11b-8 |
56.1 |
125.3 |
0.828 |
56.3 |
11b-9 |
73.4 |
90.3 |
1.156 |
68.5 |
11b-10 |
79.0 |
79.0 |
1.290 |
72.5 |
*Since the degree of hydrolysis of these samples was below 10 %, the values were not used for further calculations.
Table 8: Calculation of the Arrhenius Parameters for pH 7
T[°C] |
T[K] |
1/T[1/K] |
kobs[h-1] |
lnkobs |
20 |
293.15 |
0.00341 |
0.010 |
-4.61 |
20 |
293.15 |
0.00341 |
0.010 |
-4.63 |
25 |
298.15 |
0.00335 |
0.013 |
-4.33 |
25 |
298.15 |
0.00335 |
0.013 |
-4.33 |
30 |
303.15 |
0.00330 |
0.018 |
-4.00 |
30 |
303.15 |
0.00330 |
0.018 |
-4.02 |
lnA |
13.8 |
A[h-1] |
10 x 105 |
|
-EA/R |
-5406.1 |
EA[kJ/mol] |
44.9 |
Table 9: Results of Tier 2 at pH 9 and 20 °C
Sample no. |
t[h] |
Measuredct[mg/L] |
lnc0/ct |
Degree of hydrolysis* [%] |
8a-0 |
0.0 |
314.6 |
-- |
-- |
8a-1 |
3.7 |
257.3 |
0.201 |
18.2 |
8a-2 |
6.0 |
241.3 |
0.265 |
23.3 |
8a-3 |
7.7 |
222.3 |
0.347 |
29.3 |
8a-4 |
23.8 |
74.2 |
1.444 |
76.4 |
8a-5 |
25.8 |
67.3 |
1.542 |
78.6 |
8a-6 |
27.7 |
60.7 |
1.644 |
80.7 |
8a-7 |
31.0 |
56.1 |
1.724 |
82.2 |
8a-8* |
98.7 |
0.0 |
-- |
100.0 |
8b-0 |
0.0 |
311.7 |
-- |
-- |
8b-1 |
3.2 |
258.5 |
0.187 |
17.1 |
8b-2 |
5.5 |
246.0 |
0.237 |
21.1 |
8b-3 |
7.2 |
224.1 |
0.330 |
28.1 |
8b-4 |
23.3 |
80.9 |
1.348 |
74.0 |
8b-5 |
25.3 |
76.3 |
1.408 |
75.5 |
8b-6 |
27.2 |
71.1 |
1.477 |
77.2 |
8b-7 |
30.5 |
62.9 |
1.600 |
79.8 |
8b-8* |
98.2 |
0.0 |
-- |
100.0 |
*Since the degree of hydrolysis of these samples was at 100 %, the values were not used for further calculations.
Table 10: Results of Tier 2 at pH 9 and 25 °C
Sample no. |
t[h] |
Measuredct[mg/L] |
lnc0/ct |
Degree of hydrolysis* [%] |
16a-0 |
0.0 |
288.6 |
-- |
-- |
16a-1 |
2.8 |
239.8 |
0.185 |
16.9 |
16a-2 |
3.8 |
220.4 |
0.270 |
23.6 |
16a-3 |
4.8 |
209.8 |
0.319 |
27.3 |
16a-4 |
5.6 |
196.8 |
0.383 |
31.8 |
16a-5 |
6.3 |
186.4 |
0.437 |
35.4 |
16a-6 |
7.1 |
177.6 |
0.486 |
38.5 |
16a-7 |
7.8 |
167.1 |
0.546 |
42.1 |
16a-8 |
23.6 |
58.6 |
1.594 |
79.7 |
16b-0 |
0.0 |
311.9 |
-- |
-- |
16b-1 |
2.7 |
252.5 |
0.211 |
19.0 |
16b-2 |
3.7 |
239.1 |
0.266 |
23.3 |
16b-3 |
4.7 |
220.7 |
0.346 |
29.2 |
16b-4 |
5.4 |
205.2 |
0.419 |
34.2 |
16b-5 |
6.2 |
200.7 |
0.441 |
35.7 |
16b-6 |
6.9 |
191.3 |
0.489 |
38.7 |
16b-7 |
7.7 |
179.5 |
0.552 |
42.4 |
16b-8 |
23.4 |
58.3 |
1.677 |
81.3 |
Table 11: Results of Tier 2 at pH 9 and 30 °C
Sample no. |
t[h] |
Measuredct[mg/L] |
lnc0/ct |
Degree of hydrolysis* [%] |
12c-0 |
0.0 |
297.1 |
-- |
-- |
12c-1 |
2.5 |
254.8 |
0.154 |
14.3 |
12c-2 |
3.8 |
235.3 |
0.233 |
20.8 |
12c-3 |
4.6 |
228.8 |
0.261 |
23.0 |
12c-4 |
5.1 |
211.5 |
0.340 |
28.8 |
12c-5 |
5.6 |
199.3 |
0.399 |
32.9 |
12c-6 |
6.1 |
197.2 |
0.410 |
33.6 |
12c-7 |
6.8 |
187.3 |
0.461 |
37.0 |
12c-8 |
23.1 |
60.5 |
1.591 |
79.6 |
12d-0 |
0.0 |
306.6 |
-- |
-- |
12d-1 |
2.3 |
257.8 |
0.173 |
15.9 |
12d-2 |
3.6 |
243.7 |
0.230 |
20.5 |
12d-3 |
4.4 |
227.2 |
0.300 |
25.9 |
12d-4 |
4.9 |
214.1 |
0.359 |
30.2 |
12d-5 |
5.4 |
205.3 |
0.401 |
33.1 |
12d-6 |
5.9 |
198.2 |
0.436 |
35.3 |
12d-7 |
6.6 |
192.3 |
0.467 |
37.3 |
12d-8 |
22.9 |
63.3 |
1.578 |
79.4 |
Table 12: Calculation of the Arrhenius Parameters for pH 9
T[°C] |
T[K] |
1/T[1/K] |
kobs[h-1] |
lnkobs |
20 |
293.15 |
0.00341 |
0.061 |
-2.80 |
20 |
293.15 |
0.00341 |
0.0558 |
-2.89 |
25 |
298.15 |
0.00335 |
0.068 |
-2.70 |
25 |
298.15 |
0.00335 |
0.071 |
-2.64 |
30 |
303.15 |
0.00330 |
0.070 |
-2.66 |
30 |
303.15 |
0.00330 |
0.068 |
-2.68 |
lnA |
7.47 |
A[h-1] |
1761.9 |
|
-EA/R |
-3024.4 |
EA[kJ/mol] |
25.1 |
Description of key information
The hydrolysis of the test material as a function of pH was investigated in accordance with the standardised guidelines OECD 111 and EU Method C.7 under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
The preliminary test at pH 4, 7 and 9 was performed at a temperature of 50 °C. Samples were taken and measured after 5 and 101 hours. The nominal start concentration of the test material was 332.4 mg/L. It was observed that the test material was hydrolysed by more than 10 % at all three pH values after 5 hours. Thus, Tier 2 was performed for all three pH values.
At pH 4 average half-lives were 3.9, 2.4 and 1.8 hours at 20, 25 and 30 °C, respectively. At pH 7 average half-lives were 70.4, 52.7 and 38.3 hours at 20, 25 and 30 °C, respectively. At pH 9 average half-lives were 11.9, 10.1 and 10 hours at 20, 25 and 30 °C, respectively.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 52.7 h
- at the temperature of:
- 25 °C
Additional information
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