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EC number: 300-504-3 | CAS number: 93941-05-0
- 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:
- 6 January 2020 to 6 February 2020
- 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:
- 13 April 2004
- Deviations:
- no
- GLP compliance:
- yes
- Specific details on test material used for the study:
- The test sample was corrected for purity of the test material.
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Remarks:
- High-performance liquid chromatography
- Details on sampling:
- At initiation, one test solution was pretreated and analysed. The remaining test solutions were put into the test equipment and warmed at the test temperature.
After 5 days of Tier 1 or at the measurement point of Tier 2, two test solutions were taken out from test equipment and were cooled to room temperature, and then were pretreated and analysed. - Buffers:
- - pH: 4.0
- Preparation of buffer: The solution was prepared by mixing 4.5 mL of 1 mol/L sodium hydroxide solution and 50 mL of 0.5 mol/L potassium dihydrogen citrate solution, and then filling up to 500 mL with purified water, and then adjusting to pH 4.0 with 1 mol/L hydrochloric acid.
- pH: 7.0
- Preparation of buffer: The solution was prepared by mixing 14.8 mL of 1 mol/L sodium hydroxide solution and 50 mL of 0.5 mol/L potassium dihydrogenphosphate solution, and then filling up to 500 mL with purified water.
- pH: 9.0
- Preparation of buffer: The solution was prepared by mixing 10.7 mL of 1 mol/L sodium hydroxide solution and 50 mL of 0.5 mol/L potassium chloride and 0.5 mol/L boric acid solution, and then filling up to 500 mL with purified water. - Details on test conditions:
- TEST SYSTEM
- Test vessel: 10 mL test tube with glass stopper
- Lighting: Protection from light (test vessels were covered with aluminum foil)
- Confirmation of sterile conditions: Sterile conditions were confirmed for one of the test solutions at the final measurement point of each test temperature at pH 4.0 according to the plate culture method using agar medium.
TEST MEDIUM
- Volume used/treatment: ca. 10 mL
- Kind and purity of water: purified water (not further specified)
- Preparation of test medium:
The test sample (200.09 mg) was precisely weighed with an electronic analytical balance and dissolved in purified water with ultrasonic irradiation, and then filled up to 10 mL with purified water to obtain 16600 mg/L test material solution. The pH of the test solution was measured.
A portion (2 mL, 33.3 mg as test material) of the test material solution was put into a 200 mL volumetric flask and then filled up with each buffer solution. This solution was aerated for about 5 minutes with helium gas after filtration with a sterile filter (0.22 µm) to obtain a test solution.
The test solution (about 10 mL) was poured into respective test vessels and the test vessels were sealed.
PRELIMINARY TEST
In a preliminaly test, the test material was not hydrolysed at pH 7.0 and pH 9.0, but was hydrolysed at pH 4.0. Therefore, in the main study, the OECD 111 Tier 1 test was performed at pH 7.0 and pH 9 .0, and Tier 2 and Tier 3 tests were performed at pH 4.0.
CALCULATION OF RESULTS
- Calculation for residual percentage of test material (Tier 1)
The residual percentage of test material at pH7.0 and pH 9.0 in Tier 1 was calculated from the following equation:
Residual percentage of test material (%) = (C / Ci) x 100
where:
Ci : Concentration of test material at initiation (mg/L)
C : Concentration of test material after 5 days (mg/L)
In case that the residual percentage of test material is larger than 90%, the test material is judged to be hydrolytically stable.
- Calculation ofhydrolysis rate constant and the half life of test material (Tier 2)
A regression equation was obtained by plotting logarithm of the test material concentration at each time (log C) versus time (t), and then slope (a) and intercept (b) were calculated at pH 4.0.
The regression equation is shown as follows: logC = at + b
The hydrolysis rate constant of test material and the half life were calculated by the following equation:
k = -2.303 x a
t1/2= 0.693 / k
where
k: hydrolysis rate constant
t1/2: half life
Logarithm values of the hydrolysis rate constants were plotted versus reciprocal number of the respective absolute temperature (1/T) and a regression equation was obtained by the method of least squares. The hydrolysis rate constant and the half life at 25°C were calculated by extrapolation from the regression equation. - Duration:
- 5 d
- pH:
- 7.04
- Temp.:
- 50 °C
- Initial conc. measured:
- 168 mg/L
- Remarks:
- Tier 1 Test
- Duration:
- 5 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- 165 mg/L
- Remarks:
- Tier 1 Test
- Duration:
- 22 d
- pH:
- 4.02
- Temp.:
- 50 °C
- Initial conc. measured:
- 165 mg/L
- Remarks:
- Tier 2 Test
- Duration:
- 10 d
- pH:
- 4.03
- Temp.:
- 60 °C
- Initial conc. measured:
- 167 mg/L
- Remarks:
- Tier 2 Test
- Duration:
- 4 d
- pH:
- 4.02
- Temp.:
- 70 °C
- Initial conc. measured:
- 166 mg/L
- Number of replicates:
- Single measurement at test initiation. Duplicate measurements after 5 days (Tier 1) or at the measuring point (Tier 2).
- Positive controls:
- not specified
- Negative controls:
- not specified
- Statistical methods:
- not specified
- Preliminary study:
- In a preliminaly test, the test material was not hydrolysed at pH 7.0 and pH 9.0, but was hydrolysed at pH 4.0.
- Transformation products:
- not specified
- Remarks:
- Please refer to 'Any other information on results inc. tables'
- Details on hydrolysis and appearance of transformation product(s):
- Please refer to 'Any other information on results inc. tables'
- % Recovery:
- 99.4
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 5 d
- Remarks on result:
- hydrolytically stable based on preliminary test
- % Recovery:
- 93.9
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- 5 d
- Remarks on result:
- hydrolytically stable based on preliminary test
- pH:
- 4
- Temp.:
- 50 °C
- Hydrolysis rate constant:
- 0.003 h-1
- DT50:
- 229 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: average values of two measurements
- pH:
- 4
- Temp.:
- 60 °C
- Hydrolysis rate constant:
- 0.007 h-1
- DT50:
- 94.2 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: average values of two measurements
- pH:
- 4
- Temp.:
- 70 °C
- Hydrolysis rate constant:
- 0.015 h-1
- DT50:
- 46.3 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: average values of two measurements
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0 h-1
- DT50:
- 93.6 d
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: extrapolated value
- Details on results:
- The residual percentage of test material at pH 7.0 and pH 9 .0 was larger than 90% in Tier 1. Therefore, the test material can be considered hydrolytically stable at pH 7.0 and pH 9 .0.
In Tier 2 at pH 4.0, the hydrolysis rate constant and the half life at 25°C are considered to be acceptable because the regression equation about logarithm values of the hydrolysis rate constants versus reciprocal number of the respective absolute temperature (1/T) was confirmed to be a straight line. As the colony was not counted after the test (number of colonies counted at pH 4.0, at 50, 60 and 70°C was zero), it was considered that sterile conditions were maintained. Therefore, microoganism was not affected the production of hydrolysis products. - Validity criteria fulfilled:
- yes
- Conclusions:
- Under the conditions of the Tier 1 study, the test material was determined to be hydrolytically stable at pH 7 and pH 9. The test material was not found to be hydrolytically stable at pH 4. In Tier 2, the hydrolysis rate constant of the test material was determined to be 3.09 x 10^-4 hour^-1 with an associated half-life of 93.6 days, at 25°C, pH 4.
- Executive summary:
The hydrolysis of the test material was investigated in a study which was conducted in accordance with the standardised guideline OECD 111, and under GLP conditions.
Under the conditions of the Tier 1 study, the test material was determined to be hydrolytically stable at pH 7 and pH 9. The test material was not found to be hydrolytically stable at pH 4. In Tier 2, the hydrolysis rate constant of the test material was determined to be 3.09 x 10^-4 hour^-1 with an associated half-life of 93.6 days, at 25°C, pH 4.
Reference
Identification of hydrolysis products
Name |
Retention time |
Detection ion (m/z) and attribution |
Presumed molecular weight |
Hydrolysis product-1 |
About 0.4 |
191.0: Unknown |
Unknown |
Hydrolysis product-2 |
About 7.3/7.4 |
350.5: [M2-2H]2- |
M2*1: 703 |
Test material |
About 9.7 |
359.6: [M-3Na+H]2- |
M: 787/789 |
*1 M2: [M-3Na+3H-Cl-+OH]
Description of key information
The test material was determined to be hydrolytically stable at pH 7 and pH 9.
At pH 4 (25°C), the hydrolysis rate constant of the test material was determined to be 3.09 x 10^-4 hour^-1 with an associated half-life of 93.6 days.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 93.6 d
- at the temperature of:
- 25 °C
Additional information
The hydrolysis of the test material was investigated in a study which was conducted in accordance with the standardised guideline OECD 111, and under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
Under the conditions of the Tier 1 study, the test material was determined to be hydrolytically stable at pH 7 and pH 9. The test material was not found to be hydrolytically stable at pH 4. In Tier 2, the hydrolysis rate constant of the test material was determined to be 3.09 x 10^-4 hour^-1 with an associated half-life of 93.6 days, at 25°C, pH 4.
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