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EC number: 613-145-5 | CAS number: 63139-21-9
- 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
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- 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
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- Specific investigations
- Exposure related observations in humans
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- 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:
- 2007-02-13 to 2007-06-19
- 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)
- Analytical monitoring:
- yes
- Details on sampling:
- The sample solutions were taken from the water bath at various times and the pH of each solution recorded before concentration was determined.
- Buffers:
- -pH 4: 21.01 g citric acid monohydrate were dissolved in 200 mL sodium hydroxide solution (conc. = 1 mol/L). This solution was filled up to a volume of 1000 mL with distilled water. 44 mL of hydrochloric acid (conc. = 1 mol/L) were added to 560 mL of this solution and filled up to a volume of 1000 mL with distilled water. The pH value was adjusted to pH 4 for each hydrolysis temperature.
-pH 7: 13.61 g potassium dihydrogen phosphate were dissolved in 1000 mL distilled water. 30 mL of sodium hydroxide solution (conc. = 1 mol/L) were added to 500 ml of this solution and filled up to a volume of 1000 mL with distilled water. The pH value was adjusted to pH 7 for each hydrolysis temperature.
-pH 9: 7.46 g potassium chloride and 6.18 g boric acid were dissolved in 1000 mL distilled water. 21 mL of sodium hydroxide solution (conc. = 1 mol/L) were added to 500 mL of this solution and filled up to a volume of 1000 mL with distilled water. The pH value was adjusted to pH 9 for each hydrolysis temperature. - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: General laboratory glassware
- Measures taken to avoid photolytic effects: The test solutions were shielded from light whilst maintaining the test temperature.
- Measures to exclude oxygen: The buffer solutions were subjected to ultrasonication and degassing with nitrogen to minimise dissolved oxygen content.
- If no traps were used, is the test system closed/open: Closed
- Is there any indication of the test material adsorbing to the walls of the test apparatus?: none was reported
PREPARATION OF THE TEST SAMPLES
For each test stock solutions of the test item, they were prepared by weighing about 11.1 mg to 13.0 mg of the test item and dissolving it in 50 mL distilled water using an ultrasonic bath for 1 h. 5 mL of these stock solutions were placed in 50 mL volumetric flasks diluted in the relevant buffers (filled up to the mark). This preparation was done in a glove box filled with nitrogen.
TEST MEDIUM
- Volume used/treatment: 50 mL
- Kind and purity of water: distilled water
OTHER TEST CONDITIONS
- Adjustment of pH: none - Duration:
- 5 d
- pH:
- 4
- Temp.:
- 70 °C
- Initial conc. measured:
- 21.3 mg/L
- Duration:
- 5 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 24.9 mg/L
- Duration:
- 5 d
- pH:
- 4
- Temp.:
- 40 °C
- Initial conc. measured:
- 25.1 mg/L
- Duration:
- 5 d
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 26.7 mg/L
- Duration:
- 5 d
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 26.9 mg/L
- Duration:
- 5 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 26.6 mg/L
- Duration:
- 5 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 26.4 mg/L
- Number of replicates:
- 2
- Positive controls:
- no
- Negative controls:
- no
- Preliminary study:
- The preliminary hydrolysis test was performed at 50 °C at pH values of 4, 7 and 9. The samples were incubated for five days and analyzed afterwards.
The decomposition at pH 4 is below 50 % after 2.4 hours at 50 °C and above 10 % after 5 days at 50 °C. The pretest at pH 4 indicates that an examination of the hydrolysis kinetics is essential.
The decomposition at pH 7 and pH 9 is below 50 % after 2.4 hours and below 10 % after 5 days at 50 °C. According to test guideline, no additional tests have to be performed for pH 7 and pH 9. - Transformation products:
- no
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.001 h-1
- DT50:
- 1 176 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 4
- Temp.:
- 40 °C
- Hydrolysis rate constant:
- >= 0.003 - <= 0.003 h-1
- DT50:
- >= 250.8 - <= 273.6 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 4
- Temp.:
- 70 °C
- Hydrolysis rate constant:
- >= 0.035 - <= 0.036 h-1
- DT50:
- >= 19.4 - <= 19.5 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- >= 0.006 - <= 0.007 h-1
- DT50:
- >= 103.8 - <= 107.5 h
- Type:
- (pseudo-)first order (= half-life)
- Validity criteria fulfilled:
- yes
- Conclusions:
- At pH 4 the half-life period was determined by the extrapolation of the results of the experiments at temperatures 40 °C, 50 °C and 70 °C to a temperature of 25 °C and it was found to be 49.0 days (1176 h). At pH 9 and pH 7 less than 10 % of the reaction was observed after 5 days at 50 °C (t1/2 at 25 °C > 1 year). Thus, the test item may be considered hydrolytically stable and with reference to OECD TG 111, no additional testing is required.
- Executive summary:
The abiotic degradation of the test item was determined by hydrolysis rate as a function of the pH-value according to OECD TG 111 and EU method C.7. initially, a pretest test (Tier 1) was done at 20 °C with buffers at pH 4, 7 and 9. The decomposition at pH 4 was found to be below 50 % after 2.4 hours at 50 °C and above 10 % after 5 days at 50 °C. The decomposition at pH 7 and pH 9 were below 50 % after 2.4 hours and below 10 % after 5 days at 50 °C. The pretest at pH 4 indicated that the examination of the hydrolysis kinetics was essential. According to OECD TG 111, no additional tests were performed for pH 7 and pH 9. Thus, a Tier 2 hydrolysis test was conducted for pH 4 at 40, 50 and 70 °C. At pH 4 the half-life period was determined by the extrapolation of the results of the experiments at temperatures 40 °C, 50 °C and 70 °C to a temperature of 25 °C and it was found to be 49.0 days (1176 h). At pH 9 and pH 7 less than 10 % of the reaction was observed after 5 days at 50 °C (t1/2 at 25 °C > 1 year). Thus, the test item may be considered hydrolytically stable and with reference to OECD TG 111 no additional testing is required.
Reference
Individual Results
Pretests at 50 °C
Table 1: Results of the hydrolysis pre-tests (experiments 1 to 6)
Experiment |
pH |
Duration |
C0 in mg/L1 |
Ct in mg/L |
Ct/C0 |
Decomposition in % |
1 |
4 |
2.4 h |
24.9 |
24.4 |
0.9774 |
2.26 |
5 d |
11.4 |
0.4581 |
54.2 |
|||
2 |
4 |
2.4 h |
27.3 |
26.6 |
0.9736 |
2.64 |
5 d |
12.2 |
0.4458 |
55.4 |
|||
3 |
7 |
2.4 h |
26.7 |
26.7 |
1.0022 |
-0.22 |
5 d |
26.3 |
0.9878 |
1.22 |
|||
4 |
7 |
2.4 h |
26.9 |
26.8 |
0.9931 |
0.69 |
5 d |
26.3 |
0.9774 |
2.26 |
|||
5 |
9 |
2.4 h |
26.6 |
26.5 |
0.9955 |
0.45 |
5 d |
26.0 |
0.9785 |
2.15 |
|||
6 |
9 |
2.4 h |
26.4 |
26.2 |
0.9938 |
0.62 |
5 d |
25.5 |
0.9661 |
3.39 |
The decomposition at pH 4 is below 50 % after 2.4 hours at 50 °C and above 10 % after 5 days at 50 °C. The pretest at pH 4 indicates that an examination of the hydrolysis kinetics is essential.
The decomposition at pH 7 and pH 9 is below 50 % after 2.4 hours and below 10 % after 5 days at 50 °C. According to test guideline no additional tests have to be performed for pH 7 and pH 9.
1C0 measured by HPLC
Table 2: Concentrations of Standards for recheck
Standard |
Measured concentration (mg/L) |
% Recovery (mean value) |
Standard 3 (c = 27.4 mg/L) |
27.4 / 27.3 |
99.6 |
27.7 / 27.6 |
101 |
|
27.7/27.7 |
101 |
|
27.6 / 27.7 |
101 |
|
27.8 / 27.8 |
101 |
|
Standard 4 (c = 25.6 mg/L) |
25.4 / 25.3 |
99.0 |
25.2 / 25.2 |
98.2 |
|
25.5 / 25.4 |
99.3 |
|
25.2 / 25.2 |
98.5 |
|
25.3 / 25.4 |
98.9 |
|
25.4 / 25.5 |
99.4 |
|
25.5 / 25.5 |
100 |
|
Standard 10(c = 12.8 mg/L) |
12.8 /12.8 |
99.7 |
12.8 /12.8 |
99.9 |
|
Standard 11 (c = 2.56 mg/L) |
2.63/2.61 |
102 |
Recoveries of the 'recheck samples' ranged from 98.2 % to 102 %, indicating a good accuracy of the analytical method.
Table 3: Results of test 1 at pH 4 and test temperature 50 °C (experiment 1)
Duration h |
C01 mg/L |
Ct mg/L |
Ct/C0 |
log (Ct/C0) |
Decomposition % |
2.4 |
24.9 |
24.4 |
0.9774 |
-0.0099 |
2.26 |
120.0 |
11.4 |
0.4581 |
-0.3390 |
54.2 |
|
142.3 |
10.0 |
0.4008 |
-0.3971 |
59.9 |
|
165.9 |
8.37 |
0.3354 |
-0.4745 |
66.5 |
|
237.1 |
5.55 |
0.2223 |
-0.6530 |
77.8 |
|
261.0 |
4.65 |
0.1865 |
-0.7294 |
81.4 |
|
268.6 |
4.37 |
0.1752 |
-0.7564 |
82.5 |
|
286.7 |
3.98 |
0.1594 |
-0.7976 |
84.1 |
Regression: -log (Ct/C0) = t * kobs / 2.303 with kobs / 2.303 = b
b = 0.0028
coefficient of determination r2: 0.9996
Calculations based on the analysis lead to: kobs = 0.0064 h-1
t1/2 = 107.5 h
Table 4: Results of test 1 at pH 4 and test temperature 50 °C (experiment 2)
Duration h |
C01 mg/L |
Ct mg/L |
Ct/C0 |
log (Ct/C0) |
Decomposition % |
2.4 |
27.3 |
26.6 |
0.9736 |
-0.0116 |
2.64 |
120.0 |
12.2 |
0.4458 |
-0.3509 |
55.4 |
|
142.3 |
10.4 |
0.3813 |
-0.4187 |
61.9 |
|
165.9 |
8.73 |
0.3198 |
-0.4951 |
68.0 |
|
237.1 |
5.50 |
0.2013 |
-0.6961 |
79.9 |
|
261.0 |
4.73 |
0.1733 |
-0.7612 |
82.7 |
|
268.6 |
4.47 |
0.1641 |
-0.7848 |
83.6 |
|
286.7 |
3.95 |
0.1445 |
-0.8400 |
85.6 |
Regression: -log (Ct/C0) = t * kobs / 2.303 with kobs / 2.303 = b
b = 0.0029
coefficient of determination r2: 0.9998
Calculations based on the analysis lead to: kobs = 0.0067 h-1
t1/2 = 103.8 h
Test 1 at pH 4 and 50 °C showed a linear relationship between -log (Ct/C0) and t -> pseudo first order reaction
Table 5: Results of test 1 at pH 4 and test temperature 70 °C (experiment 9)
Duration h |
C01 mg/L |
Ct mg/L |
Ct/C0 |
log (Ct/C0) |
Decomposition % |
3.87 |
21.3 |
18.5 |
0.8687 |
-0.0611 |
13.1 |
21.4 |
10.0 |
0.4672 |
-0.3305 |
53.3 |
|
23.3 |
9.21 |
0.4325 |
-0.3640 |
56.8 |
|
24.9 |
8.84 |
0.4150 |
-0.3820 |
58.5 |
|
26.9 |
8.03 |
0.3769 |
-0.4237 |
62.3 |
|
28.7 |
7.68 |
0.3607 |
-0.4429 |
63.9 |
|
47.1 |
4.04 |
0.1899 |
-0.7215 |
81.0 |
Regression: -log (Ct/C0) = t * kobs / 2.303 with kobs / 2.303 = b
b = 0.0154
coefficient of determination r2: 0.9996
Calculations based on the analysis lead to: kobs = 0.0355 h-1
t1/2 = 19.5 h
Table 6: Results of test 1 at pH 4 and test temperature 70 °C (experiment 10)
Duration h |
C01 mg/L |
Ct mg/L |
Ct/C0 |
log (Ct/C0) |
Decomposition % |
3.87 |
21.1 |
18.7 |
0.8823 |
-0.0544 |
11.8 |
21.4 |
9.81 |
0.4618 |
-0.3355 |
53.8 |
|
23.3 |
9.15 |
0.4329 |
-0.3636 |
56.7 |
|
24.9 |
8.67 |
0.4101 |
-0.3872 |
59.0 |
|
26.9 |
8.07 |
0.3819 |
-0.4180 |
61.8 |
|
28.7 |
7.54 |
0.3565 |
-0.4479 |
64.4 |
|
47.1 |
3.97 |
0.1878 |
-0.7264 |
81.2 |
Regression: -log (Ct/C0) = t * kobs / 2.303 with kobs / 2.303 = b
b = 0.0155
coefficient of determination r2: 0.9998
Calculations based on the analysis lead to: kobs = 0.0357 h-1
t1/2 = 19.4 h
Test 1 at pH 4 and 70 °C showed a linear relationship between -log (Ct/Co) and t -> pseudo first order reaction.
Table 7: Results of test 1 at pH 4 and test temperature 40 °C (experiment 7)
Duration h |
C01 mg/L |
Ct mg/L |
Ct/C0 |
log (Ct/C0) |
Decomposition % |
118.3 |
25.1 |
18.3 |
0.7312 |
-0.1360 |
26.9 |
144.3 |
17.1 |
0.6824 |
-0.1659 |
31.8 |
|
166.5 |
16.2 |
0.6440 |
-0.1911 |
35.6 |
|
191.3 |
15.0 |
0.5994 |
-0.2223 |
40.1 |
|
214.4 |
14.1 |
0.5625 |
-0.2499 |
43.8 |
|
306.7 |
11.1 |
0.4422 |
-0.3544 |
55.8 |
|
381.1 |
9.14 |
0.3644 |
-0.4385 |
63.6 |
|
450.7 |
7.68 |
0.3060 |
-0.5142 |
69.4 |
Regression: -log (Ct/C0) = t * kobs / 2.303 with kobs / 2.303 = b
b = 0.0011
coefficient of determination r2: 0.9998
Calculations based on the analysis lead to: kobs = 0.0025 h-1
t1/2 = 273.6 h
Table 8: Results of test 1 at pH 4 and test temperature 40 °C (experiment 8)
Duration h |
C01 mg/L |
Ct mg/L |
Ct/C0 |
log (Ct/C0) |
Decomposition % |
118.3 |
25.0 |
18.3 |
0.7299 |
-0.1368 |
27.0 |
144.3 |
17.0 |
0.6784 |
-0.1685 |
32.2 |
|
166.5 |
15.9 |
0.6368 |
-0.1960 |
36.3 |
|
191.3 |
15.0 |
0.5987 |
-0.2228 |
40.1 |
|
214.4 |
14.1 |
0.5617 |
-0.2505 |
43.8 |
|
306.7 |
11.0 |
0.4399 |
-0.3567 |
56.0 |
|
381.1 |
9.04 |
0.3608 |
-0.4427 |
63.9 |
|
450.7 |
7.59 |
0.3030 |
-0.5185 |
69.7 |
Regression: -log (Ct/C0) = t * kobs / 2.303 with kobs / 2.303 = b
b = 0.0012
coefficient of determination r2: 0.9998
Calculations based on the analysis lead to: kobs = 0.0028 h-1
t1/2 = 250.8 h
Test 1 at pH 4 and 40 °C showed a linear relationship between -log (Ct/C0) and t -> pseudo first order reaction.
Table 9: Concentrations of Standards for recheck
Standard |
Measured concentration (mg/L) |
% Recovery (mean value) |
Standard 4 (c = 25.6 mg/L) |
25.6 / 25.5 |
99.7 |
25.5 / 25.5 |
99.6 |
|
|
27.8 / 27.8 |
101 |
|
27.8 / 27.7 |
101 |
Standard 12 (c = 27.4 mg/L) |
27.7 / 27.7 |
101 |
27.8 / 27.8 |
101 |
|
|
27.8 / 27.8 |
101 |
|
27.8 / 27.8 |
101 |
Standard 13 (c = 13.7 mg/L) |
13.9 / 13.9 |
101 |
Standard 14 (c = 13.7 mg/L) |
14.0 /14.0 |
102 |
14.0 /14.0 |
102 |
|
|
5.46 / 5.47 |
99.5 |
|
5.54 /5.52 |
101 |
|
5.53 / 5.54 |
101 |
Standard 15 (c = 5.49 mg/L) |
5.52 / 5.54 |
101 |
5.52 / 5.51 |
101 |
|
|
5.51 / 5.52 |
101 |
|
5.50 / 5.50 |
100 |
|
5.49 / 5.50 |
100 |
Recoveries of the 'recheck samples' ranged from 99.5 % to 102 %, indicating a good accuracy of the analytical method.
Summary of the hydrolysis results and extrapolation
Table 10: Summary and extrapolation of the results at pH 4
Temperature in °C |
t1/2 in h |
k in h-1 |
Experiment |
50 |
107.5 |
0.0064 |
experiment 1 |
50 |
103.8 |
0.0067 |
experiment 2 |
70 |
19.5 |
0.0355 |
experiment 9 |
70 |
19.4 |
0.0357 |
experiment 10 |
40 |
273.6 |
0.0025 |
experiment 7 |
40 |
250.8 |
0.0028 |
experiment 8 |
25°C |
1176 |
0.00059 |
extrapolation |
In kobs = - E/R * 1/T + const with - E/R = b and T in K
b = -9316.5
const = 23.8
coefficient of determination r2 = 0.9993
t1/2 at 25 °C = 1176 hours = 49 days
Description of key information
At pH 4 the half-life period was determined by the extrapolation of the results of the experiments at temperatures 40 °C, 50 °C and 70 °C to a temperature of 25 °C and it was found to be 49.0 days (1176 h). At pH 9 and pH 7 less than 10 % of the reaction was observed after 5 days at 50 °C (t1/2 at 25 °C > 1 year). Thus, the test item may be considered hydrolytically stable and with reference to OECD TG 111, no additional testing is required (reference 5.1.2-1).
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 1 176 h
- at the temperature of:
- 25 °C
Additional information
The abiotic degradation of the test item was determined by hydrolysis rate as a function of the pH-value according to OECD TG 111 and EU method C.7. Initially, a pretest test (Tier 1) was done at 20°C with buffers at pH 4, 7 and 9. The decomposition at pH 4 was found to be below 50 % after 2.4 hours at 50 °C and above 10 % after 5 days at 50 °C. The decomposition at pH 7 and pH 9 were below 50 % after 2.4 hours and below 10 % after 5 days at 50 °C. The pretest at pH 4 indicated that the examination of the hydrolysis kinetics was essential. According to OECD TG 111, no additional tests were performed for pH 7 and pH 9. Thus, a Tier 2 hydrolysis test was conducted for pH 4 at 40, 50 and 70 °C. At pH 4 the half-life period was determined by the extrapolation of the results of the experiments at temperatures 40 °C, 50 °C and 70 °C to a temperature of 25 °C and it was found to be 49.0 days (1176 h). At pH 9 and pH 7 less than 10 % of the reaction was observed after 5 days at 50 °C (t1/2 at 25 °C > 1 year). Thus, the test item may be considered hydrolytically stable and with reference to OECD TG 111 no additional testing is required.
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