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EC number: 287-722-1 | CAS number: 85567-10-8
- 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:
- 2018-02-08 to 2018-03-26
- 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)
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products:
Preliminary Test (Tier 1):
pH 4 at 50 °C: sampling at 0, 0.5, 1, 1.5, 2, 2.5, 29 and 120 h;
pH 7 at 50 °C: sampling at 0, 0.5, 1, 1.5, 2, 2.5, 3, 3.5, 4, 4.5, 5 h;
pH 9 at 50 °C: sampling at 0, 0.5, 1 h.
Main Test (Tier 2):
pH 7 at 20 °C: sampling at 0, 32, 48, 56, 72, 79, 96 h;
pH 7 at 35 °C: sampling at 0, 4, 8, 24, 28, 32, 48 h;
pH 7 at 50 °C: sampling at 0, 0.5, 1, 1.5, 2, 2.5, 3, 3.5, 4, 4.5, 5 h
- Sampling method: At each sampling time 2 mL diluent were added (dilution factor 2). The samples were homogenised by shaking after recrimbing. Two vials were prepared for each pH and each sampling date.
- Sampling intervals/times for pH measurements: same as sampling intervals for content determination
- Sample storage conditions before analysis: directly used for analysis - Buffers:
- - pH: 4, 7, 9
- Type and final molarity of buffer: The citrate buffer (pH 4), the phosphate buffer (pH 7), and the borate buffer (pH 9) were prepared in a concentration of 0.05 M on the basis of the undissociated acids.
- Composition of buffer:
Citrate buffer pH 4 (0.05 M): Per 1 L ultra-pure water about 10.505 g citric acid monohydrate was weighed and about 60 mL of sodium hydroxide solution (1 M) was added to reach pH 4.
Phosphate buffer pH 7 (0.05 M): Per 1 L ultra-pure water about 6.805 g potassium dihydrogenphosphate was weighed and about 30 mL of sodium hydroxide solution (1 M) was added to reach pH 7.
Borate buffer pH 9 (0.05 M): Per 1 L ultra-pure water about 3.902 g boric acid and about 3.728 g potassium chloride were weighed and 21 mL of sodium hydroxide solution (1 M) were added to reach pH 9. - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: 6mL crimb vials
- Sterilisation method: Sterile buffer solutions used, sterilised by autoclaving
- Lighting: dark
- Measures taken to avoid photolytic effects: shaking in the dark
- Measures to exclude oxygen: degassing the buffers with argon for at least five minutes and purging the vessels with argon before preparing the test solution
- Test system: closed, with teflon sealed crimp caps
TEST PROCEDURE
- Test item preparation: weighed 110 mg into a 100 mL volumetric flask and then brought to volume with the corresponding buffer solutions.
- Test concentration: 1000 mg/L
- Preliminary Test (Tier 1): performed at 50 ± 0.5 °C at three pH values 4, 7 and 9
- Main Test (Tier 2): performed at pH 7 at 20 °C ± 0.5 °C, 35 °C ± 0.5 °C and 50 °C ± 0.5 °C. - Duration:
- 120 h
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- 1 000 mg/L
- Remarks:
- Preliminary Test (Tier 1)
- Duration:
- 5 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 1 000 mg/L
- Remarks:
- Preliminary Test (Tier 1)
- Duration:
- 1 h
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 1 000 mg/L
- Remarks:
- Preliminary Test (Tier 1)
- Duration:
- 96 h
- pH:
- 7
- Temp.:
- 20 °C
- Initial conc. measured:
- 1 000 mg/L
- Remarks:
- Main Test (Tier 2)
- Duration:
- 48 h
- pH:
- 7
- Temp.:
- 35 °C
- Initial conc. measured:
- 1 000 mg/L
- Remarks:
- Main Test (Tier 2)
- Duration:
- 5 h
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- 1 000 mg/L
- Remarks:
- Main Test (Tier 2)
- Number of replicates:
- 2
- Positive controls:
- no
- Negative controls:
- no
- Preliminary study:
- At pH 4 about 100 % of the initial test item concentration was detected after 120 hours (t0.5 (25°C) > 1 year), therefore the test substance can be considered hydrolytically stable and no additional testing is required.
At pH 7 and pH 9 more than 10 % of the test item were hydrolysed within 5 hours (for pH 7), 1 hour (for pH 9) at 50 °C, respectively. It was decided to perform a Tier 2 study at pH 7. Since the hydrolysis at pH 9 was so fast, no Tier 2 test was conducted. Instead it is concluded that the degradation half-life is < 1 day at 25°C and pH 9. - Transformation products:
- not measured
- % Recovery:
- 66.1
- pH:
- 7
- Temp.:
- 20 °C
- Duration:
- 96 h
- % Recovery:
- 20.1
- pH:
- 7
- Temp.:
- 35 °C
- Duration:
- 48 h
- % Recovery:
- 38
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 5 h
- Key result
- pH:
- 7
- Temp.:
- 20 °C
- Hydrolysis rate constant:
- -0.002 h-1
- DT50:
- 161.5 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 7
- Temp.:
- 35 °C
- Hydrolysis rate constant:
- -0.015 h-1
- DT50:
- 20.5 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 7
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- -0.085 h-1
- DT50:
- 3.7 h
- Type:
- (pseudo-)first order (= half-life)
- Details on results:
- TEST CONDITIONS
- pH, temperature maintained throughout the study: Yes
- Others: The hydrolysis at pH 9 was very fast. Approximately 5 % of the initial concentration was remaining after 0.5 hours at 50°C. Therefore the corresponding half-life time can be estimated to be much lower than one day at 25 °C. Because of the clear result of the preliminary test and the resulting short sampling intervals no Tier 2 test was performed. - Validity criteria fulfilled:
- yes
- Conclusions:
- The test item is hydrolytically stable at pH 4. At pH 7 a Tier 2 study was performed. The determined degradation half-life values at pH 7 are 161.5, 20.5, 3.7 h for 20 °C, 35 °C, 50 °C, respectively. At pH 9 the hydrolysis is very fast and it is assumed that the half-life at 25°C is much lower than 1 day.
- Executive summary:
The abiotic degradation of test item as a function of pH in aqueous solution was determined according to OECD guideline 111 and EC method C.7 (440/2008).
First a preliminary test (Tier 1) was performed. The rate of hydrolysis at 50°C was assessed for pH 4, 7 and 9. The hydrolysis of test item was negligible at pH 4. The degradation of test item was less than 10 % at pH 4 at 50 °C over a period of 120 hours. Therefore the corresponding half-life time can be estimated to be longer than one year at 25 °C. The hydrolysis of test item was more than 10 % at pH 7 and pH 9 at 50 °C over a period of 1 hour.
The hydrolysis at pH 9 was very fast. Approximately 5 % of the initial concentration was remaining after 0.5 hours at 50 °C. Therefore the corresponding half-life time can be estimated to be much lower than one day at 25 °C. Because of the clear result of the preliminary test and the resulting short sampling intervals no Tier 2 test was performed at pH 9.
A Tier 2 test at 20 °C, 35 °C and 50 °C was performed at pH 7. The determined degradation half-life values at pH 7 are 161.5, 20.5, 3.7 h for 20 °C, 35 °C, 50 °C, respectively.
Reference
Time course of test concentration at pH 7 at 20 °C:
Sampling time [h] | Concentration [mg/L] | Mean Concentration [mg/L] | % of initial concentration [%] | log[c(t)/c(0)] | pH |
0 | 1003.56 | 1003.5 | 100 | 0 | 7.11 |
1003.5 | |||||
32 | 850.98 | 852.7 | 85 | -0.07072 | 7.06 |
854.38 | |||||
48 | 784.47 | 786.9 | 78.4 | -0.1056 | 7.09 |
789.28 | |||||
56 | 770.33 | 770.6 | 76.8 | -0.11469 | 7.09 |
770.8 | |||||
72 | 733.29 | 734.3 | 73.2 | -0.13564 | 7.1 |
735.26 | |||||
79 | 717 | 718 | 71.5 | -0.14539 | 7.07 |
719.09 | |||||
96 | 660.42 | 662.9 | 66.1 | -0.18007 | 7.08 |
665.39 |
Time course of test concentration at pH 7 at 35 °C:
Sampling time [h] |
Concentration [mg/L] | Mean Concentration [mg/L] | % of initial concentration [%] | log[c(t)/c(0)] | pH |
0 | 1003.56 | 1003.5 | 100 | 0 | 7.11 |
1003.5 | |||||
4 | 879.9 | 882.4 | 87.9 | -0.0559 | 7.08 |
884.92 | |||||
8 | 776.09 | 777.3 | 77.5 | -0.1109 | 7.07 |
778.46 | |||||
24 | 431.85 | 432.1 | 43.1 | -0.3659 | 7.06 |
432.36 | |||||
28 | 380.45 | 380.8 | 37.9 | -0.4208 | 7.05 |
381.05 | |||||
32 | 341.54 | 342.3 | 34.1 | -0.4671 | 7.07 |
343.13 | |||||
48 | 202.12 | 202.2 | 20.1 | -0.6957 | 7.06 |
202.35 |
Time course oftestconcentration at pH 7 at 50 °C:
Sampling time [h] |
Concentration [mg/L] | Mean Concentration [mg/L] | % of initial concentration [%] | log[c(t)/c(0)] | pH |
0 | 987.12 | 986.7 | 100 | 0 | 7.06 |
986.25 | |||||
0.5 | 927.03 | 921.4 | 93 | -0.0297 | 7.09 |
915.67 | |||||
1 | 836.36 | 836.1 | 85 | -0.0719 | 7.1 |
835.79 | |||||
1.5 | 773.04 | 772.5 | 78 | -0.1063 | 7.09 |
771.88 | |||||
2 | 705.46 | 700.8 | 71 | -0.1486 | 7.08 |
696.2 | |||||
2.5 | 635.21 | 635.7 | 64 | -0.1909 | 7.08 |
636.23 | |||||
3 | 568.64 | 569.8 | 58 | -0.2385 | 7.08 |
570.91 | |||||
3.5 | 521.33 | 522 | 53 | -0.2765 | 7.06 |
522.68 | |||||
4 | 465.03 | 465.8 | 47 | -0.326 | 7.07 |
466.52 | |||||
4.5 | 410.65 | 410.5 | 42 | -0.3809 | 7.07 |
410.35 | |||||
5 | 373.69 | 374.6 | 38 | -0.4206 | 7.06 |
375.48 |
Degradation endpoint for hydrolysis of the test item:
Test-temperature |
pH value |
Kinetic model |
Slope a |
Y-axis intercept b |
DT50 |
DT50 |
20 °C |
pH 7 |
SFO |
-0.001812 |
-0.008309 |
161.5 |
6.73 |
35 °C |
pH 7 |
SFO |
-0.014665 |
-0.000654 |
20.5 |
0.85 |
50 °C |
pH 7 |
SFO |
-0.085462 |
0.014573 |
3.7 |
0.15 |
Description of key information
For this endpoint only one test is available. The abiotic degradation of test item as a function of pH in aqueous solution was determined according to OECD guideline 111 and EC method C.7 (440/2008). Hydrolysis was assessed at 3 pH values: pH 4, 7 and 9.
The hydrolysis of test item was negligible at pH 4. At pH 7 the determined degradation half-life values are 161.5, 20.5 and 3.7h at 20, 35 and 50 °C respectively. At pH 9 hydrolysis was very fast: lower than 1 day at 25°C.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 161.5 h
- at the temperature of:
- 20 °C
Additional information
The hydrolysis of test item was negligible at pH 4. The degradation of test item was less than 10 % at pH 4 at 50 °C over a period of 120 hours. Therefore the corresponding half-life time can be estimated to be longer than one year at 25 °C.
The hydrolysis of test item was more than 10 % at pH 7 and pH 9 at 50 °C over a period of 1 hour. The hydrolysis at pH 9 was very fast. Approximately 5 % of the initial concentration was remaining after 0.5 hours at 50 °C. Therefore the corresponding half-life time can be estimated to be much lower than one day at 25 °C. Because of the clear result of the preliminary test and the resulting short sampling intervals no Tier 2 test was performed at pH 9.
A Tier 2 test at 20 °C, 35 °C and 50 °C was performed at pH 7. The determined degradation half-life values at pH 7 are 161.5, 20.5, 3.7 h for 20 °C, 35 °C, 50 °C, respectively.
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