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EC number: 263-417-9 | CAS number: 62121-75-9
- 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
- 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
- Remarks:
- in dependence of pH
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2020-05-08 to 2021-03-12
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Version / remarks:
- 440/2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- 2004
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products:
preliminary test: Start and after 120 h incubation at 50 °C
definitive test: spaced sampling points (minimum of 8) until transformation of 90%; duplicates for pH 7, single replicates for pH 9 at each sampling interval
- Sampling method: Stabilization by adding 10 µL formic acid and direct analysis afterwards
- Sampling intervals/times for pH measurements: Check of the buffer solutions at test start and at the respective test temperatures
- Sampling intervals/times for sterility check: Once at thest end, determined for pH 7 from additional samples after incubation at 36 ± 1 °C for 48 hours and at 22 ± 1 °C for 72 hours. At pH 9 the study duration was ≤ 4 h, no sterility check was deemed to be necessary.
- Sample storage conditions before analysis: Ambient temperature at the autosampler of the analytical system; - Buffers:
- Buffer solution pH 4
0.18 g of sodium hydroxide and 5.7555 g of mono potassium citrate were dissolved in 500 mL purified water.
Buffer solution pH 7
3.854 g of ammonium acetate were dissolved in 500 mL purified water.
Buffer solution pH 9
0.426 g sodium hydroxide, 1.8638 g potassium chloride and 1.5458 g boric acid were dissolved in 500 mL purified
Buffer solutions were prepared from chemicals with analytical grade or better quality following the composition guidance given in “KÜSTER-THIEL, Rechentafeln für die Chemische Analytik” and the OECD Guideline No. 111, respectively, by direct weighing of the buffer components. Buffers were purged with nitrogen for 5 min and then the pH was checked to a precision of at least 0.1 at the test temperatures. Buffers were sterilized by filtration through 0.2 µm. - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: HPLC vials, brown glass, volume: 2 mL
- Sterilisation method: via autoclav
- Measures taken to avoid photolytic effects: Usage of brown glass vessels and opaque water baths
- Details of traps for volatile, if any: None
- 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? No
TEST MEDIUM
- Volume used/treatment: 1 mL
- Kind and purity of water: see "Buffers" above
- Identity and concentration of co-solvent: None was used - Duration:
- 120 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 14.5 mg/L
- Remarks:
- preliminary test
- Duration:
- 120 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 15.4 mg/L
- Remarks:
- preliminary test
- Duration:
- 120 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 12.8 mg/L
- Remarks:
- preliminary test
- Duration:
- 552 h
- pH:
- 7
- Temp.:
- 20 °C
- Initial conc. measured:
- 15.4 mg/L
- Duration:
- 168 h
- pH:
- 7
- Temp.:
- 30 °C
- Initial conc. measured:
- 15.4 mg/L
- Duration:
- 33.4 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 15.6 mg/L
- Duration:
- 301 min
- pH:
- 9
- Temp.:
- 20 °C
- Initial conc. measured:
- 15.5 mg/L
- Duration:
- 150 min
- pH:
- 9
- Temp.:
- 30 °C
- Initial conc. measured:
- 15.3 mg/L
- Duration:
- 22.7 min
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 15.6 mg/L
- Number of replicates:
- Preliminary test: Duplicate at test start and end for each pH value
Definitive test: Duplicate at test start and each sampling interval for pH 7, single replicates at test start and each sampling interval for pH 9 - Positive controls:
- no
- Negative controls:
- no
- Statistical methods:
- Arrhenius calculation acc. to the guidelines for the definitive test results
- Preliminary study:
- In the preliminary test for the pH values 7 and 9 the test item was degraded after 120 hours more than 10%. For pH 4 no degradation was measured.
- Test performance:
- None
- Transformation products:
- yes
- No.:
- #1
- No.:
- #2
- No.:
- #3
- Details on hydrolysis and appearance of transformation product(s):
- - Formation and decline of each transformation product during test: See tables below
- Pathways for transformation:
- Other: - % Recovery:
- 99
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 120 h
- Remarks on result:
- other: result of preliminary test
- % Recovery:
- 34
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 120 h
- Remarks on result:
- other: result of preliminary test
- % Recovery:
- 3
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 120 h
- Remarks on result:
- other: result of the preliminary test
- % Recovery:
- 9.03
- pH:
- 7
- Temp.:
- 20 °C
- Duration:
- 552 h
- % Recovery:
- 10.58
- pH:
- 7
- Temp.:
- 30 °C
- Duration:
- 168 h
- % Recovery:
- 12.69
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 33.4 h
- % Recovery:
- 11.35
- pH:
- 9
- Temp.:
- 20 °C
- Duration:
- 301 min
- % Recovery:
- 4.37
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 150 min
- % Recovery:
- 2.68
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 22.7 min
- Key result
- pH:
- 7
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 162 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 7
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 52.2 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 11.2 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 93.1 h
- Type:
- other: calculated using Arrhenius equation
- Key result
- pH:
- 9
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 1.67 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 9
- Temp.:
- 30 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 0.565 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 9
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.003 s-1
- DT50:
- 0.071 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 0.954 h
- Type:
- other: calculated using Arrhenius equation
- Details on results:
- TEST CONDITIONS
- pH, sterility, temperature, and other experimental conditions maintained throughout the study: Yes
- Anomalies or problems encountered (if yes): None
MAJOR TRANSFORMATION PRODUCTS
At pH7:
- Range of maximum concentrations in % of the applied amount and hours of incubation when observed:
#1:
20 °C: 9.63% (start); 30 °C: 9.63% (start); 50 °C: 11.6% (start)
#2:
20 °C: 24.9% (527 h); 30 °C: 27.2% (end); 50 °C: 24.0% (28.0 h)
#3:
20 °C: 57.2% (408 h); 30 °C: 60.4% (78.6 h); 50 °C: 58.6% (12.7 h)
- Range of maximum concentrations in % of the applied amount at end of study period:
#1:
20 °C: 3.82%; 30 °C: 4.03%; 50 °C: 3.35%
#2:
20 °C: 6.58%; 30 °C: 27.2%; 50 °C: 19.6%
#3:
20 °C: 36.1%; 30 °C: 47.7%; 50 °C: 18.9%
At pH9:
- Range of maximum concentrations in % of the applied amount and minutes of incubation when observed:
#1:
20 °C: 3.85% (10.1 min); 30 °C: 4.61% (121 min); 50 °C: 4.75% (1.50 min)
#2:
20 °C: 1.92% (start); 30 °C: 2.67% (start); 50 °C: 2.84% (start)
#3:
20 °C: 91.6% (end); 30 °C: 109% (end); 50 °C: 109% (end)
- Range of maximum concentrations in % of the applied amount at end of study period:
#1:
20 °C: 2.69%; 30 °C: 4.53%; 50 °C: 4.37%
#2:
20, 30 and 50 °C: not detectable
#3:
20 °C: 91.6%; 30 °C: 109%; 50 °C: 109%
PATHWAYS OF HYDROLYSIS
- Description of pathwayS:
- Figures of chemical structures attached: Yes/No - Validity criteria fulfilled:
- yes
- Conclusions:
- The test item showed a moderate hydrolysis rate (2.4 h ≤ t1/2 ≤ 30 d) for pH 7 at 20, 30 and 50 °C and a fast hydrolysis (t1/2 ≤ 2.4 h) for pH 9 at 20, 30 and 50 °C.
At pH 4, no significant reduction of the test item concentration was observed in the preliminary test and therefore the test item was considered as hydrolytically stable under this condition and a half-life of > 1 year could be assumed for environmental typical temperatures (25 °C). - Executive summary:
Reaction Rate Constants and Half-Lives at pH 7
pH 7 20 °C 30 °C 50 °C 25 °C 1) Reaction rate constant kobs [1/s] 1.19 · 10-6 3.69 · 10-6 1.72 · 10-5 2.07 · 10-6 Half-life T½ [h] 162 52.2 11.2 93.1 Half-life T½ [d] 6.76 2.18 0.466 3.88 Number of data points 11 11 11 EA = 6.92 · 104 J * mol-1 Slope of regression graph significantly non-zero 1) = values calculated via Arrhenius equation
EA = activation energyReaction Rate Constants and Half-Lives at pH 9
pH 9 20 °C 30 °C 50 °C 25 °C 1) Reaction rate constant kobs [1/s] 1.16 · 10-4 3.41 · 10-4 2.72 · 10-3 2.02 · 10-4 Half-life T½ [h] 1.67 0.565 0.0708 0.954 Half-life T½ [d] 0.0694 0.0235 0.00295 0.0398 Number of data points 13 14 13 EA = 8.30 · 104 J * mol-1 Slope of regression graph significantly non-zero 1) = values calculated via Arrhenius equation
EA = activation energy
Reference
Hydrolysis Results for the Test Item at pH 7 and 20 °C |
Hydrolysis Time | Concentration | Ln Concentration |
[h] | [mg/L] | |
0.00 | 15.4 | 2.73 |
26.3 | 13.6 | 2.61 |
32.3 | 13.4 | 2.60 |
45.8 | 12.6 | 2.53 |
98.7 | 9.23 | 2.22 |
168 | 7.06 | 1.95 |
240 | 5.17 | 1.64 |
312 | 3.21 | 1.16 |
408 | 2.75 | 1.01 |
527 | 1.73 | 0.547 |
552 | 1.39 | 0.326 |
Formation of the Transformation Products T1, T2 and T3 at pH 7 and 20 °C |
Hydrolysis Time | [% of test item] | ||
[h] | T1 | T2 | T3 |
0.00 | 9.63 | 2.28 | 3.13 |
26.3 | 3.91 | 1.21 | 16.7 |
32.3 | 4.35 | 1.22 | 17.6 |
45.8 | 3.34 | 1.11 | 23.0 |
98.7 | 7.11 | 1.22 | 26.0 |
168 | 6.10 | 0.990 | 40.5 |
240 | 8.32 | 4.43 | 48.4 |
312 | 6.09 | 9.77 | 48.2 |
408 | 5.80 | 13.4 | 57.2 |
527 | 4.03 | 24.9 | 56.2 |
552 | 3.82 | 6.58 | 36.1 |
Hydrolysis Results for the Test Item at pH 7 and 30 °C |
Hydrolysis Time | Concentration | Ln Concentration |
[h] | [mg/L] | |
0.00 | 15.4 | 2.73 |
6.72 | 14.0 | 2.64 |
25.9 | 10.4 | 2.34 |
28.4 | 9.87 | 2.29 |
32.3 | 9.51 | 2.25 |
45.8 | 7.91 | 2.07 |
51.1 | 7.33 | 1.99 |
54.9 | 7.08 | 1.96 |
72.8 | 5.56 | 1.72 |
78.6 | 5.09 | 1.63 |
168 | 1.63 | 0.487 |
Formation of the Transformation Products T1, T2 and T3 at pH 7 and 30 °C |
Hydrolysis Time | [% of test item] | ||
[h] | T1 | T2 | T3 |
0.00 | 9.63 | 2.28 | 3.13 |
6.72 | 9.60 | 1.95 | 11.4 |
25.9 | 3.54 | 0.847 | 37.4 |
28.4 | 3.59 | 0.778 | 39.0 |
32.3 | 3.73 | 0.873 | 42.1 |
45.8 | 3.48 | 0.193 | 50.4 |
51.1 | 3.53 | 1.71 | 55.2 |
54.9 | 3.15 | 1.87 | 56.9 |
72.8 | 3.04 | 3.69 | 60.0 |
78.6 | 3.02 | 5.43 | 60.4 |
168 | 4.03 | 27.2 | 47.7 |
Hydrolysis Results for the Test Item at pH 7 and 50 °C |
Hydrolysis Time | Concentration | Ln Concentration |
[h] | [mg/L] | |
0.00 | 15.6 | 2.75 |
0.917 | 13.9 | 2.63 |
1.87 | 12.9 | 2.55 |
3.25 | 10.1 | 2.31 |
4.72 | 8.31 | 2.12 |
6.72 | 7.56 | 2.02 |
8.72 | 6.30 | 1.84 |
10.7 | 5.38 | 1.68 |
12.7 | 4.50 | 1.50 |
28.0 | 2.11 | 0.748 |
33.4 | 1.98 | 0.684 |
Formation of the Transformation Products T1, T2 and T3 at pH 7 and 50 °C |
Hydrolysis Time | [% of test item] | ||
[h] | T1 | T2 | T3 |
0.00 | 11.6 | 0.573 | 1.24 |
0.917 | 11.5 | 0.103 | 7.73 |
1.87 | 8.93 | - | 19.4 |
3.25 | 5.54 | - | 30.0 |
4.72 | 5.45 | 0.496 | 39.0 |
6.72 | 3.94 | 0.901 | 49.0 |
8.72 | 4.35 | 2.69 | 54.9 |
10.7 | 4.23 | 5.18 | 57.7 |
12.7 | 3.42 | 9.48 | 58.6 |
28.0 | 3.83 | 24.0 | 24.9 |
33.4 | 3.35 | 19.6 | 18.9 |
Hydrolysis Results for the Test Item at pH 9 and 20 °C |
Hydrolysis Time | Concentration | Ln Concentration |
[min] | [mg/L] | |
0.00 | 15.5 | 2.74 |
10.1 | 14.2 | 2.65 |
20.3 | 13.4 | 2.59 |
30.2 | 12.8 | 2.55 |
45.1 | 11.3 | 2.43 |
60.1 | 10.5 | 2.36 |
75.1 | 9.68 | 2.27 |
90.4 | 8.43 | 2.13 |
120 | 6.97 | 1.94 |
151 | 6.12 | 1.81 |
201 | 3.93 | 1.37 |
251 | 2.96 | 1.09 |
301 | 1.76 | 0.564 |
Formation of the Transformation Products T1, T2 and T3 at pH 9 and 20 °C |
Hydrolysis Time | [% of test item] | ||
[min] | T1 | T2 | T3 |
0.00 | 2.69 | 1.92 | 3.33 |
10.1 | 3.85 | 1.21 | 8.80 |
20.3 | 2.60 | 1.13 | 16.5 |
30.2 | 3.19 | 1.09 | 21.5 |
45.1 | 2.44 | 0.965 | 30.2 |
60.1 | 2.90 | 0.662 | 36.5 |
75.1 | 2.72 | 0.329 | 43.2 |
90.4 | 2.68 | 0.276 | 46.7 |
120 | 2.93 | 0.194 | 58.9 |
151 | 2.94 | - | 71.4 |
201 | 2.72 | - | 74.1 |
251 | 2.74 | - | 86.1 |
301 | 2.69 | - | 91.6 |
Hydrolysis Results for the Test Item at pH 9 and 30 °C |
Hydrolysis Time | Concentration | Ln Concentration |
[min] | [mg/L] | |
0.00 | 15.3 | 2.73 |
1.00 | 15.4 | 2.74 |
4.02 | 14.4 | 2.67 |
8.02 | 13.2 | 2.58 |
11.7 | 12.3 | 2.51 |
18.0 | 10.5 | 2.36 |
25.0 | 9.17 | 2.22 |
43.5 | 6.12 | 1.81 |
48.0 | 5.56 | 1.72 |
60.0 | 4.16 | 1.43 |
75.1 | 3.51 | 1.26 |
90.2 | 2.84 | 1.04 |
121 | 1.32 | 0.279 |
150 | 0.669 | -0.402 |
Formation of the Transformation Products T1, T2 and T3 at pH 9 and 30 °C |
Hydrolysis Time | [% of test item] | ||
[min] | T1 | T2 | T3 |
0.00 | 4.33 | 2.67 | 7.59 |
1.00 | 4.26 | 2.64 | 8.17 |
4.02 | 4.42 | 2.60 | 14.9 |
8.02 | 4.41 | 2.43 | 22.8 |
11.7 | 4.40 | 2.11 | 30.2 |
18.0 | 4.39 | 1.83 | 41.1 |
25.0 | 4.37 | 1.52 | 49.6 |
43.5 | 4.48 | 1.01 | 71.4 |
48.0 | 4.27 | 0.855 | 73.7 |
60.0 | 4.34 | 0.763 | 83.7 |
75.1 | 4.55 | 0.639 | 87.7 |
90.2 | 4.45 | 0.574 | 92.6 |
121 | 4.61 | - | 103 |
150 | 4.53 | - | 109 |
Hydrolysis Results for the Test Item at pH 9 and 50 °C |
Hydrolysis Time | Concentration | Ln Concentration |
[min] | [mg/L] | |
0.00 | 15.6 | 2.75 |
1.07 | 12.4 | 2.52 |
1.50 | 13.2 | 2.58 |
2.02 | 11.2 | 2.41 |
2.53 | 11.3 | 2.43 |
3.00 | 10.0 | 2.30 |
4.05 | 8.06 | 2.09 |
5.00 | 7.02 | 1.95 |
7.00 | 4.53 | 1.51 |
9.02 | 3.92 | 1.37 |
12.0 | 3.11 | 1.14 |
16.0 | 0.862 | -0.148 |
22.7 | 0.418 | -0.873 |
Formation of the Transformation Products T1, T2 and T3 at pH 9 and 50 °C |
Hydrolysis Time | [% of test item] | ||
[min] | T1 | T2 | T3 |
0.00 | 4.34 | 2.84 | 8.63 |
1.07 | 4.13 | 2.02 | 26.3 |
1.50 | 4.75 | 2.11 | 35.2 |
2.02 | 4.34 | 1.60 | 43.8 |
2.53 | 4.33 | 1.81 | 42.0 |
3.00 | 4.36 | 1.46 | 49.3 |
4.05 | 4.14 | 1.13 | 56.8 |
5.00 | 4.70 | 0.873 | 75.2 |
7.00 | 4.43 | - | 86.1 |
9.02 | 4.59 | - | 92.8 |
12.0 | 4.38 | - | 94.8 |
16.0 | 4.62 | - | 109 |
22.7 | 4.37 | - | 109 |
Description of key information
The substance is expected to hydrolyse under normal environmental conditions. Experimental studies on hydrolytic effects demonstrated that the substance does undergo hydrolysis at environmentally relevant pH’s, with a half life of 6.75 days at pH 7 (20°C).
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 6.75 d
- at the temperature of:
- 20 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.