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EC number: 222-389-8 | CAS number: 3457-61-2
- 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:
- From 11/09/2012 to 16/11/2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: This study was performed according to OECD Guideline 111 with GLP statement. This study is valid but some solubilization problems were observed.
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- no
- Principles of method if other than guideline:
- Not applicable
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- 2012-07-18
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
None - Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- No data
- Buffers:
- For each buffer, one liter of solution was prepared with ultra-pure water and used as follow:
- pH 1.2: Chlorure de potassium 0.2M (250 mL) - HCl 1N (64.5 mL)
- pH4: potassium phthalate monobasic 0.1M (500 mL) - NaOH 1N (0.4 mL)
- pH7: potassium dihydrogen phosphate 0.1M (500 mL) - NaOH 0.1M (296 mL)
- pH9: boric acid 0.1 M (500 mL) - NaOH 0.1M (213 mL) - Estimation method (if used):
- Not applicable
- Details on test conditions:
- PRELIMINARY TEST:
The substance was dissolved by stirring during 5 minutes into each buffer (at pH 1.2, 4, 7 and 9) at 5 mg/L as water solubility was found to be close to 10 mg/L. Approximately 200 mL of each solution were transferred to 250 mL closed Schott flasks, where headspace has been purged by nitrogen. All test vessels were incubated at 50 +/- 0.5 °C and kept protected from light during five days. The solutions were then analysed by HPLC/UV.
DEFINITIVE TEST:
In order to determine the half-lives of the test substance, a definitive test was performed at pH 1.2 and at 37. A solution at 5 mg/L was prepared by dissolving 5.36 µL of the test item in 1 liter of pH 1.2 buffer (de-oxygenated by nitrogen bubbling) under stirring during 5 minutes. Approximately 200 mL of solution were transferred to 250 mL closed Schott flasks, where headspace has been purged by nitrogen. Two replicates were prepared. Test vessels were incubated at 37°C during 48 hours, up to complete hydrolysis of the test item. The solutions were then analysed by HPLC/UV. - Duration:
- 48 h
- pH:
- 1.2
- Temp.:
- 37
- Initial conc. measured:
- 8.35 mg/L
- Number of replicates:
- 2
- Positive controls:
- no
- Negative controls:
- yes
- Statistical methods:
- None
- Preliminary study:
- See table 5.1.2/1 in "Any other information on results incl. tables".
Analytical results showed only a strong decrease of the test substance at pH 1.2, where hydrolysis appears total within 5 days at 50 °C.
Initial concentration was supposed to be near 5 mg/L. It was noted that solubility might not be complete as preparation time was much shorter than the water solubility test under slow stir conditions. On the other hand, concentrations found after 5 days at pH 4, 7 and 9 are closer of the nominal initial concentrations. - Test performance:
- Results of the preliminary test allow deciding to perform a definitive test at pH 1.2 and 37°C.
- Transformation products:
- yes
- No.:
- #1
- Details on hydrolysis and appearance of transformation product(s):
- Degradation products were analysed after 48h hydrolysis. If the tert-butyl part cannot be analysed by LC-MS, 2-phenyl 2-propanol corresponding to the cumyl part of the peroxide, was well identified. After 48h of hydrolysis, only trace of the initial peroxide, analysed by LC-MS, remains.
- % Recovery:
- < 0.04
- pH:
- 1.2
- Temp.:
- 37 °C
- Duration:
- 48 h
- pH:
- 1.2
- Temp.:
- 37 °C
- Hydrolysis rate constant:
- 0.103 h-1
- DT50:
- 6.7 h
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: See table 5.1.2/2 in "Any other information on results incl. tables"
- Other kinetic parameters:
- None
- Details on results:
- For pseudo-first order behaviour, the values of hydrolysis rate constant (K.obs) can be obtained from the plots of logarithms of the concentration versus time using the expression: K.obs = - slope.
The hydrolysis rate constant derived from linear regression analysis was subsequently used to calculate the half-life for each set of test conditions, using the following equation: Half-life (t 1/2) = Ln2 / K.obs - Validity criteria fulfilled:
- yes
- Conclusions:
- The half-life for the test substance at pH 1.2 and 37 °C was determined to be 6.7 hours.
- Executive summary:
The hydrolysis as a function of pH of the test item was assessed according to the OECD Guideline 111 with GLP statement.
The objective of the study was to determine the rate of hydrolysis of the test substance.
A preliminary test showed that the item was stable at pH 4, 7 and 9 at 50°C during 5 days. At pH 1.2, strong hydrolysis can be observed in the same conditions. The definitive test was conducted at pH 1.2 and at 37°C.
The half-life for the test substance at pH 1.2 and 37 °C was determined to be 6.7 hours.
Reference
Table 5.1.2/1: Hydrolysis of the test item at 50°C - preliminary test
Time (days) |
pH |
Measured concentration (mg/L) |
0 |
1.2 |
2.4 |
5 |
< DL |
|
0 |
4 |
2.6 |
5 |
3.5 |
|
0 |
7 |
2.5 |
5 |
3.7 |
|
0 |
9 |
0.8 |
5 |
3.4 |
DL: Detection limit 0.041 mg/L
Table 5.1.2/2: Hydrolysis of the test item at pH 1.2 and 37°C - definitive test
Measured concentration (mg/L) |
|||||||
Time (hours) |
0 |
2.5 |
6.5 |
22 |
23.5 |
27.5 |
48 |
Blank |
< DL |
||||||
Assay A |
8.5 |
5.9 |
3.6 |
0.7 |
0.7 |
0.4 |
< DL |
Assay B |
8.2 |
6.5 |
4.0 |
0.8 |
0.7 |
0.6 |
< DL |
Mean |
8.35 |
6.2 |
3.8 |
0.75 |
0.7 |
0.5 |
< DL |
Remaining concentration (%) |
100 |
74.3 |
45.5 |
9.0 |
8.4 |
6.0 |
< 0.04 |
DL: Delection limit 0.041 mg/L; QL: Quantification limit 0.14 mg/L
Initial concentration of the test item appeared higher than expected. As for the preliminary test, this can be due to some solubilization problems. However, hydrolysis kinetics is correct (y = -0.1028 x + 4.5421, with R² = 0.9972, which y = ln of mean remaining concentration and x = time (hours)).
Description of key information
OECD Guideline 111, GLP, key study, validity 2: Half-life (pH 1.2; 37°C) = 6.7 hours, stable at pH 4, 7 and 9 at 50°C during 5 days.
Key value for chemical safety assessment
Additional information
One key study is available to assess the hydrolysis potential of the substance as a function of pH, according to the OECD Guideline 111 with GLP statement. A preliminary test showed that the item was stable at pH 4, 7 and 9 at 50°C during 5 days. At pH 1.2, strong hydrolysis can be observed in the same conditions. The definitive test was conducted at pH 1.2 and at 37°C. The half-life for the test substance at pH 1.2 and 37 °C was determined to be 6.7 hours.
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