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EC number: 606-729-6 | CAS number: 212386-71-5
- 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:
- February 12, 2016 - July 27, 2016
- 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)
- Version / remarks:
- 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Siemens AG, Prozess-Sicherheit, Industriepark Höchst, B 596 & B 598, 65926 Frankfurt am Main, Germany
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products:
- Sampling method: Aliquots of the test item solutions were diluted from 0.1 mL to 1 mL with the eluent of the HPLC measurement.
- Sampling intervals/times for pH measurements: The pH values of the test solutions were measured at the end of the experiments. - Buffers:
- pH 4
21.01 g citric acid monohydrate was dissolved in 200 mL sodium hydroxide solution. This solution was filled up to a volume of 1000 mL with demineralized water. 44 mL of hydrochloric acid was added to 560 mL of this solution and filled up to a volume of 1000 mL with demineralized water. The pH value was adjusted to pH 4 for each hydrolysis temperature
pH 7
13.61 g potassium dihydrogen phosphate was dissolved in 1000 mL demineralized water. 30 mL of sodium hydroxide solution was added to 500 mL of this solution and filled up to a volume of 1000 mL with demineralized water. The pH value was adjusted to pH 7 for each hydrolysis temperature
pH 7
7.46 g potassium chloride and 6.18 g boric acid were dissolved in 1000 mL demineralized water. 21 mL of sodium hydroxide solution was added to 500 mL of this solution and filled up to a volume of 1000 mL with demineralized water. The pH value was adjusted to pH 9 for each hydrolysis temperature
The solubility of the test item in the relevant buffer solutions (pH 7 and 9) was lower than the water solubility and too low for the analytical determination. For the performance of the hydrolysis test, however, it is necessary to detect the test item down to 10% of the quantity used in the hydrolysis test. Therefore acetonitrile was used as solubillizer. At pH 4 the solubility in the corresponding buffer was too low even if an organic solvent was used as solubilizer. Therefore the study was only performed at pH 7 and pH 9. - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: glass flasks
- Measures to exclude oxygen: Flasks were baked out at 110°C and flooded with nitrogen. The standards for calibration and recheck were freshly prepared.
Due to the low solubility of the test item in buffer solutions at pH 4 even in the presence of a solubilizing agent, the performance of this test could not be performed due to the limit of quantification (LOQ: ca 2.36 mg/L) of the applied analytical method. - Duration:
- 721 h
- pH:
- 7.1
- Temp.:
- 20 °C
- Initial conc. measured:
- 62.48 mg/L
- Duration:
- 720 h
- pH:
- 7.1
- Temp.:
- 20 °C
- Initial conc. measured:
- 62.79 mg/L
- Duration:
- 692 h
- pH:
- 7.2
- Temp.:
- 40 °C
- Initial conc. measured:
- 51.77 mg/L
- Duration:
- 692 h
- pH:
- 7.2
- Temp.:
- 40 °C
- Initial conc. measured:
- 70.77 mg/L
- Duration:
- 189 h
- pH:
- 7.1
- Temp.:
- 50 °C
- Initial conc. measured:
- 55.3 mg/L
- Duration:
- 236 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 60.31 mg/L
- Duration:
- 719 h
- pH:
- 9.2
- Temp.:
- 20 °C
- Initial conc. measured:
- 65.41 mg/L
- Duration:
- 719 h
- pH:
- 9.2
- Temp.:
- 20 °C
- Initial conc. measured:
- 65.68 mg/L
- Duration:
- 692 h
- pH:
- 9.3
- Temp.:
- 40 °C
- Initial conc. measured:
- 51.69 mg/L
- Duration:
- 691 h
- pH:
- 9.3
- Temp.:
- 40 °C
- Initial conc. measured:
- 52.78 mg/L
- Duration:
- 187 h
- pH:
- 9.2
- Temp.:
- 50 °C
- Initial conc. measured:
- 63.15 mg/L
- Duration:
- 187 h
- pH:
- 9.2
- Temp.:
- 50 °C
- Initial conc. measured:
- 61.85 mg/L
- Number of replicates:
- 2
- Positive controls:
- no
- Negative controls:
- no
- Preliminary study:
- In the preliminary tests, the test solutions (pH 7 and pH 9) were kept at 50 +/-0.5°C for 5 days in tightly closed flasks and the per cent abiotic degradation caused by hydrolysis was determined. At pH 7 and pH 9 more than 10% of the test item hydrolyzed within 5 d, therefore the main test had to be conducted.
- Test performance:
- The recovery of the standards indicated a sufficient accuracy of the analytical method.
- Transformation products:
- not measured
- Remarks:
- identification not necessary as the amount of the transformation product was <10% of the applied dose
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.001 h-1
- DT50:
- 26.4 d
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0.001 h-1
- DT50:
- 26.9 d
- Type:
- (pseudo-)first order (= half-life)
- Details on results:
- Preliminary Test
In the preliminary tests (pH 7 and pH 9; 50 +/-0.5°C), the test item hydrolyzed by more than 10% within 5 d (67-ca. 84%), therefore the main test had to be conducted.
Main Test
Based on the findings of the preliminary test, the abiotic degradation via hydrolysis was investigated at pH 7 and pH 9, at temperatures of 20, 40, and 50°C and a observation period of 30 d at maximum.
Solutions of the test item were prepared by first dissolving approx. 3 mg of the test item in 0.5 mL acetonitrile and filling the solution up with the relevant buffers. The concentrations of the test solutions were <73 mg/L (range: ca. 50-71 mg/L).
At pH 7 and test temperatures of 20, 40, and 50°C, 38.9%, 91.2-92.7, and 91.0-92.6% of the test item hydrolyzed within <= 30 d, respectively. The test item had a half-life of 26.4 d at pH 7 and a temperature of 25°C.
At pH 9 and test temperature sof 20, 40, and 50°C, 31.1-44.9, 92.5-95.1, and 92.7-92.9% of the test item hydrolyzed within <=30 d, respectively. The test item had a half-life of 26.9 d at pH 9 and a temperature of 25°C.
Only one major hydrolysis product was found in tier 1 using a DAD detector. The amount of this major hydrolysis product was evaluated for experiments with a high hydrolysis rate of tier 2. For this purpose the peak areas of the hydrolysis products at the end of the experiment were compared with the peak area of the test item at the beginning of the experiment.
The amount of the hydrolysis product at 50°C and pH 7 was 4.8%. The amount of the hydrolysis product at 50°C and pH 9 was 4.2%. No identification of major hydrolysis products was necessary as no major hydrolysis products (>= 10% of the applied dose) was identified in the experiments of tier 2. - Validity criteria fulfilled:
- yes
- Conclusions:
- The abiotic degradation of the test item was determined as a a function of temperature and pH. Based on measured data, half-lives t1/2 of 43 and 26 d at pH 7 and temperatures of 20 and 25°C, respectively, were calculated.
- Executive summary:
The object of this study was the determination of the abiotic degradation of the test item, the determination of the hydrolysis rate as a function of the pH value.
For this purpose, the test item was added to the corresponding buffer solutions. Due to the low solubility of the test item in the buffer solutions, acetonitrile was used as solubilizing agent. At pH 4 the solubility in the relevant buffer solution was too low even in the presence of a solubilizing agent. Therefore the study was only performed at pH 7 and pH 9.
Preliminary Test
In the preliminary tests (pH 7 and pH 9; 50 +/-0.5°C), the test item hydrolyzed by more than 10% within 5 d (67-ca. 84%), therefore the main test had to be conducted.
Main Test
Based on the findings of the preliminary test, the abiotic degradation via hydrolysis was investigated at pH 7 and pH 9, at temperatures of 20, 40, and 50°C and a observation period of 30 d at maximum.
Solutions of the test item were prepared by first dissolving approx. 3 mg of the test item in 0.5 mL acetonitrile and filling the solution up with the relevant buffers. The concentrations of the test solutions were <73 mg/L (range: ca. 50-71 mg/L).
At pH 7 and test temperatures of 20, 40, and 50°C, 38.9%, 91.2-92.7, and 91.0-92.6% of the test item hydrolyzed within <= 30 d, respectively. The test item had a half-life of 26.4 d at pH 7 and a temperature of 25°C.
At pH 9 and test temperature sof 20, 40, and 50°C, 31.1-44.9, 92.5-95.1, and 92.7-92.9% of the test item hydrolyzed within <=30 d, respectively. The test item had a half-life of 26.9 d at pH 9 and a temperature of 25°C.
No major hydrolysis products (>=10% of the applied dose) were identified in the experiments. Therefore the identification of major hydrolysis products was not necessary.
Conclusion
The abiotic degradation of the test item was determined as a a function of temperature and pH. Based on measured data, half-lives t1/2 of 43 and 26 d at pH 7 and temperatures of 20 and 25°C, respectively, were calculated.
No major hydrolysis products (>=10% of the applied dose) were identified in the experiments. Therefore the identification of major hydrolysis products was not necessary.
Reference
Table 1: Results of preliminary test
pH of buffer solution |
pH of test item solutiona |
Duration (d) |
C0b(mg/L) |
Ctc(mg/L) |
Ct/C0 |
Decomposition (%) |
7 |
7.1 |
5 |
63.31 |
20.88 |
0.330 |
67 |
7 |
7.1 |
5 |
61.01 |
16.29 |
0.267 |
73.3 |
9 |
9.2 |
5 |
55.52 |
11.37 |
0.205 |
79.5 |
9 |
9.2 |
5 |
63.07 |
10.20 |
0.162 |
83.8 |
a The pH values of the test item solutions were measured at the end of the experiments
Table 2: Measured half-lives at pH 7 and pH 9
pH value |
Temperature (°C) |
t1/2(h) |
7 |
20 20 40 40 50 50 |
986 997 186 181 55.5 67.9 |
9 |
20 20 40 40 50 50 |
795 1409 151 178 50.7 49.8 |
Table 3: Calculated half-lives at 20°C and 25°C
pH value |
Temperature (°C) |
t1/2(h) |
t1/2(d) |
7 |
20 25 |
1037 633 |
43 26 |
9 |
20 25 |
1108 645 |
46 27 |
Description of key information
Calculated half-value times were as followed:
pH 7: 43 d at 20°C and 26 d at 25°C
pH 9: 46 d at 20°C and 27 d at 25°C.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 26 d
- at the temperature of:
- 25 °C
Additional information
The object of this study was the determination of the abiotic degradation of the test item, the determination of the hydrolysis rate as a function of the pH value.
For this purpose, the test item was added to the corresponding buffer solutions. Due to the low solubility of the test item in the buffer solutions, acetonitrile was used as solubilizing agent. At pH 4 the solubility in the relevant buffer solution was too low even in the presence of a solubilizing agent. Therefore the study was only performed at pH 7 and pH 9.
Preliminary Test
In the preliminary tests (pH 7 and pH 9; 50 +/-0.5°C), the test item hydrolyzed by more than 10% within 5 d (67-ca. 84%), therefore the main test had to be conducted.
Main Test
Based on the findings of the preliminary test, the abiotic degradation via hydrolysis was investigated at pH 7 and pH 9, at temperatures of 20, 40, and 50°C and a observation period of 30 d at maximum.
Solutions of the test item were prepared by first dissolving approx. 3 mg of the test item in 0.5 mL acetonitrile and filling the solution up with the relevant buffers. The concentrations of the test solutions were <73 mg/L (range: ca. 50-71 mg/L).
At pH 7 and test temperatures of 20, 40, and 50°C, 38.9%, 91.2-92.7, and 91.0-92.6% of the test item hydrolyzed within <= 30 d, respectively. The test item had a half-life of 26.4 d at pH 7 and a temperature of 25°C.
At pH 9 and test temperature sof 20, 40, and 50°C, 31.1-44.9, 92.5-95.1, and 92.7-92.9% of the test item hydrolyzed within <=30 d, respectively. The test item had a half-life of 26.9 d at pH 9 and a temperature of 25°C.
No major hydrolysis products (>=10% of the applied dose) were identified in the experiments. Therefore the identification of major hydrolysis products was not necessary.
Conclusion
The abiotic degradation of the test item was determined as a a function of temperature and pH. Based on measured data, half-lives t1/2 of 43 and 26 d at pH 7 and temperatures of 20 and 25°C, respectively, were calculated.
No major hydrolysis products (>=10% of the applied dose) were identified in the experiments. Therefore the identification of major hydrolysis products was not necessary.
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