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EC number: 800-036-4 | CAS number: 1422423-64-0
- 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:
- supporting study
- Study period:
- October from 9th to 23rd, 2015
- 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:
- adopted 3th April, 2004
- Deviations:
- yes
- Remarks:
- Deviations reported in the section "Any other information on material and method"
- GLP compliance:
- yes (incl. QA statement)
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling method: hydrolysis of the test item was followed over 5 days, with one HPLC analysis per day (t1 – t5), at intervals of about 24 h.
- Sampling intervals/times for sterility check: sampling for each series of HPLC analysis was done under sterile conditions (Bunsen burner, fume hood).
- Other observation: 5 ml were transferred with a sterilized pipette tip into a test tube (samples for HPLC do not need to be sterile, but the test vessels must remain sterile). The samples were not filtered, because no signs of precipitation were visible. - Buffers:
- - pH 4: mixture of 0.1 M potassium biphthalate and 0.1 N NaOH0.40 ml 0.1 N NaOH + 50 ml 0.1 M potassium biphthalate to3) 100 ml (at 20 °C)
- pH 7: mixture of 0.1 M monopotassium phosphate and 0.1 N NaOH29.63 ml 0.1 N NaOH + 50 ml 0.1 M monopotassium phosphate to 100 ml (at 20 °C)
- pH 9: mixture of 0.1 M H3BO3 in 0.1 M KCl and 0.1 N NaOH21.30 ml 0.1 N NaOH + 50 ml 0.1 M H3BO3 to 100 ml (at 20 °C)
Preparation as described in the OECD guideline 111 for a temperature of 20 °C. For 50 °C the pH had to be adjusted.
The three buffers were sparged with N2 for about 5 min to minimize reaction of the test item with oxygen, and were then placed at 50 ± 0.5 °C for at least 3 hours to allow for temperature equilibration. After checking and if necessary correcting the pH of the three buffers, these were used to prepare test solutions of 50 mg/l test item (set aside 100 ml for the blank solutions).After stirring at least 10 min to ensure full dissolution of the test item, in the 50 °C thermostat cabinet, the pH was adjusted with a precision of 0.1 pH unit. - Details on test conditions:
- TEST SYSTEM
- Test vessels: 100 ml vessels with screw cap (Schott, Duran).
- Sterilisation method: the vessels were again taken out of the cabinet, and under sterile conditions (Bunsen burner, hood).100 ml of each test solution and blank solution were filter-sterilized (0.45 μm APES membrane Rapid-Flow, Thermo Scientific) directly into the test and blank vessels. - Duration:
- 5 d
- pH:
- 4
- Temp.:
- 50 °C
- Initial conc. measured:
- ca. 50 mg/L
- Duration:
- 5 d
- pH:
- 7
- Temp.:
- 50 °C
- Initial conc. measured:
- ca. 50 mg/L
- Duration:
- 5 d
- pH:
- 9
- Temp.:
- 50 °C
- Initial conc. measured:
- ca. 50 mg/L
- Number of replicates:
- Two test vessels (buffer with test item), as well as a blank vessel (buffer without test item), were prepared for each pH value.
- Positive controls:
- no
- Negative controls:
- yes
- Test performance:
- The initially intended loading rate was 50 mg/l test item. The analytically determined start concentrations ranged from 50.0 to 64.5 mg/l, demonstrating the correct dosage of the test item.
- Transformation products:
- not specified
- Details on hydrolysis and appearance of transformation product(s):
- At pH 4, the test item hydrolysed readily, whereas at pH 7 and 9, no significant decrease of the test item concentrations were observed over the duration of the test.
For pH 4, the plot of ln(Ct/C0) vs. time gives a linear function. Thus, it can be assumed that the hydrolysis follows a pseudo-first order reaction and the hydrolysis rate constant kobs as well as the half-life (t 0.5) can be calculated. - % Recovery:
- ca. 21.3
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- ca. 5 d
- % Recovery:
- ca. 97.4
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- ca. 5 d
- % Recovery:
- ca. 100
- pH:
- 9
- Temp.:
- 50 °C
- Duration:
- ca. 5 d
- Details on results:
- For all pH levels, the pH measurements after each sampling showed that the pH of the test solutions remained constant at ± 0.1 unit of the target value.
The temperature could not be held at the required 50 ± 0.5 °C. The temperature ranged from 49.2 to 52.8 °C with a mean of 51.0 °C. Considering that no hydrolysis was observed for pH 7 and 9 and that the hydrolysis at pH 4 followed the expected kinetics of a pseudo first-order reaction, this slight variation seems not to have had a significant effect on the outcome of this study. - Validity criteria fulfilled:
- not applicable
- Conclusions:
- Hydrolysis of the test item was only observed at pH 4, with a half-life of 2.30 days. At pH 7 and 9, no significant decrease of the test item concentrations was found over the duration of the test.
- Executive summary:
Method
The hydrolysis of the substance was investigated in a preliminary test (Tier 1) according to TG OECD 111 by incubating solutions of about 50 mg test item/l at three environmentally relevant pH values (pH 4, 7 and 9) and 50 °C over five days.
Observations
The results obtained under the test conditions are summarized in the table below, which gives the determined hydrolysis rate constants (kobs) and calculated half-lifes including 95 % confidence intervals (CI):
Kobs Lower CI Upper CI Half-Life Lower CI Upper CI ph 4 0.301/d 0.325 0.276 2.30 d 2.13 2.51 ph 7 no hydrolysis ph 9 no hydrolysis Results
Hydrolysis of the test item was only observed at pH 4, with a half-life of 2.30 days. At pH 7 and 9, no significant decrease of the test item concentrations was found over the duration of the test.
According to the guideline, a second hydrolysis study (Tier 2) has to be conducted at the pH values where the test item hydrolyses and at different temperatures. In accordance with the sponsor and since the test item is readily biodegradable, no Tier 2 study was conducted.
Reference
Kobs | Lower CI | Upper CI | Half-Life | Lower CI | Upper CI | |
ph 4 | 0.301/d | 0.325 | 0.276 | 2.30 d | 2.13 | 2.51 |
ph 7 | no hydrolysis | |||||
ph 9 | no hydrolysis |
Test item concentration of individual replicates and mean; percentage of hydrolysis. In(Ct/C0) used for the calculations of the rate constants.
pH 4 and 50 °C
Time (d) | Replicate A (mg/l) | Replicate B (mg/l) | Mean (mg/l) | % hydrolysis | In(Ct/C0) |
0 | 64.5 | 57.9 | 61.2 | 0.0 | 0.000 |
1 | 42.4 | 44.1 | 43.3 | 29.3 | -0.347 |
2 | 34.3 | 32.4 | 33.4 | 45.5 | -0.607 |
3 | 26.0 | 25.8 | 25.9 | 57.7 | -0.860 |
4 | 17.9 | 19.2 | 18.5 | 69.7 | -1.195 |
5 | 12.6 | 13.5 | 13.0 | 78.7 | -1.546 |
pH 7 and 50 °C
Time (d) | Replicate A (mg/l) | Replicate B (mg/l) | Mean (mg/l) | % hydrolysis | In(Ct/C0) |
0 | 52.0 | 51.5 | 51.7 | 0.0 | 0.000 |
1 | 50.6 | 51.3 | 50.9 | 1.6 | -0.016 |
2 | 52.5 | 51.7 | 52.1 | -0.7 | 0.007 |
3 | 51.5 | 51.4 | 51.5 | 0.5 | -0.005 |
4 | 51.4 | 50.5 | 50.9 | 1.6 | -0.016 |
5 | 50.7 | 50.1 | 50.4 | 2.6 | -0.027 |
pH 9 and 50 °C
Time (d) | Replicate A (mg/l) | Replicate B (mg/l) | Mean (mg/l) | % hydrolysis | In(Ct/C0) |
0 | 50.1 | 50.0 | 50.1 | 0.0 | 0.000 |
1 | 51.2 | 50.9 | 51.1 | -2.0 | 0.020 |
2 | 50.2 | 49.9 | 50.1 | 0.0 | 0.000 |
3 | 50.0 | 49.8 | 49.9 | 0.3 | -0.003 |
4 | 49.7 | 50.1 | 49.9 | 0.3 | -0.003 |
5 | 50.0 | 50.1 | 50.1 | 0.0 | 0.000 |
Description of key information
Hydrolysis of the test item was only observed at pH 4, with an half-life of 2.30 days. At pH values of 7 and 9 no hydrolysis was observed, showing that the substance can be considered stable.
Key value for chemical safety assessment
Additional information
According to the REACH Regulation (EC 1907/2006), Annex VIII Column 2, the study does not need to be conducted if the substance is readily biodegradable.
The target substance is readily biodegradable, therefore no test should be conducted; nevertheless, a test was in any case performed in order to evaluate the possibility of different substance behaviour on the basis of pH conditions. Test procedures were according to the OECD Guideline 111.
During the preliminary experiment (Tier 1), hydrolysis of the test item was only observed at pH 4, with an half-life of 2.30 days. At pH values of 7 and 9 no hydrolysis was observed, showing that the substance can be considered stable.
No further investigations were conducted because the experiment gave sufficient information about the substance stability at biological pH.
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