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EC number: 205-560-1 | CAS number: 142-78-9
- 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
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 17 August 2017 - TBC
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study was conducted in accordance with international guidelines and in accordance with GLP. All guideline validity criteria were met.
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)
- Version / remarks:
- Regulation (EC) 440/2008 of 30 May 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- 13 April 2004
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Details on sampling:
- - Sampling intervals for the parent/transformation products:
- Sampling method: The sample solutions were taken from the water bath at 24 and 120 hours. The pH of each solution recorded. The concentration of test item in the sample solutions was determined by liquid chromatography – mass spectroscopy (LC-MS).
- Sampling methods for the volatile compounds, if any: Not applicable.
- Sampling intervals/times for pH measurements: 24 and 120 hours.
- Sampling intervals/times for sterility check: Not reported, assumed not to be conducted.
- Sample storage conditions before analysis: Not reported, assumed analysis was conducted without sample stprage.
- Other observation, if any (e.g.: precipitation, color change etc.): - Buffers:
- - pH: 4
- Type and final molarity of buffer:
- Composition of buffer: Citric acid 0.06 mol/dm3, Sodium chloride 0.04 mol/dm3, Sodium hydroxide 0.07 mol/dm3.
- pH: 7
- Type and final molarity of buffer:
- Composition of buffer: Disodium hydrogen orthophosphate (anhydrous) 0.03 mol/dm3, Potassium dihydrogen orthophosphate 0.02 mol/dm3, Sodium chloride 0.02 mol/dm3.
- pH: 9
- Type and final molarity of buffer:
- Composition of buffer: Disodium tetraborate 0.01 mol/dm3, Sodium chloride 0.02 mol/dm3.
The buffer solutions were passed through a 0.2 µm membrane filter to sterilise and subjected to ultrasonication and degassing with nitrogen to minimize dissolved oxygen. - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used:
- Sterilisation method:
- Lighting:
- Measures taken to avoid photolytic effects:
- Measures to exclude oxygen:
- Details on test procedure for unstable compounds:
- Details of traps for volatile, if any
- If no traps were used, is the test system closed/open
- Is there any indication of the test material adsorbing to the walls of the test apparatus?
TEST MEDIUM
- Volume used/treatment
- Kind and purity of water:
- Preparation of test medium:
- Renewal of test solution:
- Identity and concentration of co-solvent:
OTHER TEST CONDITIONS
- Adjustment of pH:
- Dissolved oxygen: - Duration:
- 120 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 4.89 mg/L
- Remarks:
- Mean value of two replicants.
- Duration:
- 120 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 4.84 mg/L
- Remarks:
- Mean value of two replicants.
- Duration:
- 120 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 4.94 mg/L
- Remarks:
- Mean value of two replicants.
- Number of replicates:
- Standard solution: Four replicates.
Test solution: Two per pH level - Positive controls:
- not specified
- Remarks:
- Not applicable, preliminary test.
- Negative controls:
- not specified
- Remarks:
- Not applicable, preliminary test.
- Preliminary study:
- Less than 10% hydrolysis after 5 days at 50 °C at pH 4, 7 & 9, equivalent to half-life > 1 year at 25 °C.
- Transformation products:
- no
- Remarks on result:
- hydrolytically stable based on preliminary test
- Remarks on result:
- hydrolytically stable based on preliminary test
- Conclusions:
- The estimated half-lives at 25 °C of the test item is > 1 year at pH 4, pH 7 and pH 9.
- Executive summary:
EU Method C.7. – The hydrolysis of the test item as a function of pH was determined using a procedure designed to be compatible with Method C.7., Degradation — Abiotic Degradation: Hydrolysis as a Function of pH, of Commission Regulation (EC) No 440/2008 of 30 May 2008.
Sterile buffer solutions at pH’s 4.0, 7.0 and 9.0 were prepared, passed through a 0.2 µm membrane filter to sterilise and subjected to ultrasonication and degassing with nitrogen to minimise dissolved oxygen. Stock solutions of test item were prepared at a nominal concentration of 5 mg/L in the three buffer solutions; a 1% co-solvent of acetonitrile was used to aid solubility. The stock solutions were split into individual glass vessels, sealed with minimal headspace, for each data point. These sample solutions were shielded from light whilst maintained at the test temperature. Sample solutions at pH 4, 7 and 9 were maintained at 50.0 ± 0.5 °C for a period of 120 hours.
The test item achieved less than 10% hydrolysis after 5 days at 50 °C at pH 4, 7 & 9, equivalent to half-life > 1 year at 25 °C. The concentration of each solution did not exceed the lesser of 0.01 mol/L or half the water solubility. The pH of all the test solutions remained stable throughout testing (< ±0.1 pH unit) of the target pH 4, 7 and 9.
Reference
Data Evaluation:
The response factors of the standard peak areas (unit total peak area per mg/L) were calculated using Equation 1:
Equation 1:
RF = RSTD/CSTD
Where:
RF = response factor for the standard solution
RSTD= total peak area for the standard solution
CSTD= concentration for the standard solution (mg/L)
The concentration of the sample solution (g/L) was calculated using Equation 2:
Equation 2:
C = (RSPL/RFSTD) x (D/1,000)
Where:
RF = sample solution concentration (g/L)
RSPL= mean total peak area for the sample solution
RFSTD= mean response factor for the standard solutions (unit total peak area per mg/L)
D = dilution factor (2)
Calculation of the Degree of Hydrolysis
The decrease in concentration or the degree of hydrolysis was calculated using Equation 3:
Equation 3:
Degree of hydrolysis in % = [(C0– Ct)/C0] x 100
Where:
C0= concentration of time 0
Ct= concentration of time t
Results – Preliminary Test/Tier 1:
The mean peak areas relating to the standard and sample solutions for the initial time, 24 hour and 120-hour time points for pH 4, 7 and 9 are shown in Tables 3 – 5:
Table 3: Peak Areas – Initial
Solution |
Mean peak area |
Standard 2.54 mg/L |
2.492 x 106 |
Standard 2.52 mg/L |
2.466 x 106 |
Sample A pH 4, initial |
2.428 x 106 |
Sample B pH 4, initial |
2.476 x 106 |
Sample A pH 7, initial |
2.428 x 106 |
Sample B pH 7, initial |
2.418 x 106 |
Sample A pH 9, initial |
2.476 x 106 |
Sample B pH 9, initial |
2.483 x 106 |
Standard 2.54 mg/L |
2.602 x 106 |
Standard 2.52 mg/L |
2.574 x 106 |
Table 4: Peak Areas – 24 Hour
Solution |
Mean peak area |
Standard 2.54 mg/L |
2.694 x 106 |
Standard 2.52 mg/L |
2.664 x 106 |
Sample A pH 4, 24-Hr |
2.565 x 106 |
Sample B pH 4, 24-Hr |
2.584 x 106 |
Sample A pH 7, 24-Hr |
2.578 x 106 |
Sample B pH 7, 24-Hr |
2.564 x 106 |
Sample A pH 9, 24-Hr |
2.637 x 106 |
Sample B pH 9, 24-Hr |
2.574 x 106 |
Standard 2.54 mg/L |
2.770 x 106 |
Standard 2.52 mg/L |
2.743 x 106 |
Table 5: Peak Areas – 120 Hour
Solution |
Mean peak area |
Standard 2.54 mg/L |
1.405 x 106 |
Standard 2.54 mg/L |
1.338 x 106 |
Sample A pH 4, 120-Hr |
1.267 x 106 |
Sample B pH 4, 120-Hr |
1.266 x 106 |
Sample A pH 7, 120-Hr |
1.184 x 106 |
Sample B pH 7, 120-Hr |
1.181 x 106 |
Sample A pH 9, 120-Hr |
1.184 x 106 |
Sample B pH 9, 120-Hr |
1.185 x 106 |
Standard 2.54 mg/L |
1.260 x 106 |
Standard 2.54 mg/L |
1.238 x 106 |
The test item concentrations at the given time points are shown in Tables 6 – 8:
Table 6: pH 4 at 50.0 ± 0.5°C
Time (hours) |
Concentration (mg/L) |
Percentage of mean initial concentration |
||
A |
B |
A |
B |
|
0 |
4.84 |
4.94 |
- |
- |
24 |
4.77 |
4.81 |
97.5 |
98.2 |
120 |
4.91 |
4.91 |
100 |
100 |
Less than 10% hydrolysis after 5 days at 50 °C, equivalent to half-life > 1 year at 25 °C.
Table 7: pH 7 at 50.0 ± 0.5°C
Time (hours) |
Concentration (mg/L) |
Percentage of mean initial concentration |
||
A |
B |
A |
B |
|
0 |
4.84 |
4.83 |
- |
- |
24 |
4.79 |
4.77 |
99.2 |
98.7 |
120 |
4.59 |
4.58 |
95.0 |
94.7 |
Less than 10% hydrolysis after 5 days at 50 °C, equivalent to half-life > 1 year at 25 °C.
Table 8: pH 9 at 50.0 ± 0.5°C
Time (hours) |
Concentration (mg/L) |
Percentage of mean initial concentration |
||
A |
B |
A |
B |
|
0 |
4.92 |
4.95 |
- |
- |
24 |
4.90 |
4.79 |
99.3 |
97.0 |
120 |
4.59 |
4.50 |
93.0 |
93.1 |
Less than 10% hydrolysis after 5 days at 50 °C, equivalent to half-life > 1 year at 25 °C.
Validation:
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0.1 to 4 mg/L. The plot was found to be 1st order with a correlation coefficient (r) of 1.000.
Discussion:
The concentration of each solution did not exceed the lesser of 0.01 mol/L or half the water solubility.
No significant peaks were observed at the approximate retention time of the test item on analysis of any matrix blank solutions.
The pH of all the test solutions remained stable throughout testing (< ±0.1 pH unit) of the target pH 4, 7 and 9.
Description of key information
Hydrolysis: Half-life > 1 year at 25.0°C; EU Method C.7.; R. Butler (2018)
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 1 yr
- at the temperature of:
- 50 °C
Additional information
EU Method C.7. – The hydrolysis of the test item as a function of pH was determined using a procedure designed to be compatible with Method C.7., Degradation — Abiotic Degradation: Hydrolysis as a Function of pH, of Commission Regulation (EC) No 440/2008 of 30 May 2008.
Sterile buffer solutions at pH’s 4.0, 7.0 and 9.0 were prepared, passed through a 0.2 µm membrane filter to sterilise and subjected to ultrasonication and degassing with nitrogen to minimise dissolved oxygen. Stock solutions of test item were prepared at a nominal concentration of 5 mg/L in the three buffer solutions; a 1% co-solvent of acetonitrile was used to aid solubility. The stock solutions were split into individual glass vessels, sealed with minimal headspace, for each data point. These sample solutions were shielded from light whilst maintained at the test temperature. Sample solutions at pH 4, 7 and 9 were maintained at 50.0 ± 0.5 °C for a period of 120 hours.
The test item achieved less than 10% hydrolysis after 5 days at 50 °C at pH 4, 7 & 9, equivalent to half-life > 1 year at 25 °C. The concentration of each solution did not exceed the lesser of 0.01 mol/L or half the water solubility. The pH of all the test solutions remained stable throughout testing (< ±0.1 pH unit) of the target pH 4, 7 and 9.
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