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EC number: 227-369-2 | CAS number: 5809-08-5
- 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:
- Testing was conducted between 30 November 2011 and 02 June 2012.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- no
- GLP compliance:
- yes
- Radiolabelling:
- no
- Analytical monitoring:
- yes
- Details on sampling:
- The buffer solutions were diluted to 5% using reverse osmosis water and filtered through a 0.2 µm membrane filter to ensure they were sterile before commencement of the test. Also these solutions were subjected to ultrasonication and dissolved oxygen was removed from the solution by sparging with nitrogen.
Preparation of samples
Sample solutions were prepared in stoppered glass flasks at a nominal concentration of 1 g/l in the three buffer solutions. A 1% co-solvent of acetonitrile was used to aid solubility.
The test solutions were split into individual vessels for each data point.
The solutions were shielded from light whilst maintained at the test temperature.
Preliminary test/Tier 1
Sample solutions at pH 4, 7 and 9 were maintained at 50.0 ± 0.5°C for a period of 120 hours.
Analysis of sample solutions
The sample solutions were taken from the water bath at various times and the pH of each solution recorded.
The concentration of the sample solution was determined by high performance liquid chromatography (HPLC).
Samples
Duplicate aliquots (A and B) of sample solution were diluted by a factor of 2 using acetonitrile.
Standards
Duplicate standard solutions of test item were prepared in acetonitrile:relevant buffer solution (1:1 v/v) at a nominal concentration of 500 mg/l.
Matrix blanks
Acetonitrile:relevant buffer solution (1:1 v/v) - Buffers:
- Buffer solution
(pH) Components Concentration (mol/litre)
4 Potassium hydrogen phthalate 0.05
7 Disodium hydrogen orthophosphate (anhydrous) 0.03
Potassium dihydrogen orthophosphate 0.02
Sodium chloride 0.02
9 Disodium tetraborate 0.01
Sodium chloride 0.02
The buffer solutions were diluted to 5% using reverse osmosis water and filtered through a 0.2 µm membrane filter to ensure they were sterile before commencement of the test. Also these solutions were subjected to ultrasonication and dissolved oxygen was removed from the solution by sparging with nitrogen. - Estimation method (if used):
- Not used.
- Details on test conditions:
- Refer to details on sampling and analytical methods.
- Duration:
- 120 h
- pH:
- 4
- Initial conc. measured:
- 0.949 other: g/l - Sample A
- Duration:
- 120 h
- pH:
- 4
- Initial conc. measured:
- 0.941 other: g/l - Sample B
- Duration:
- 120 h
- pH:
- 7
- Initial conc. measured:
- 0.997 other: g/l - Sample A
- Duration:
- 120 h
- pH:
- 7
- Initial conc. measured:
- 0.934 other: g/l - Sample B
- Duration:
- 120 h
- pH:
- 9
- Initial conc. measured:
- 0.987 other: g/l - Sample A
- Duration:
- 120 h
- pH:
- 9
- Initial conc. measured:
- 0.925 other: g/l Sample B
- Number of replicates:
- Duplicate aliquots (A and B) of sample solution were diluted by a factor of 2 using acetonitrile.
- Positive controls:
- no
- Negative controls:
- no
- Statistical methods:
- Not specified.
- Preliminary study:
- The mean peak areas relating to the standard and sample solutions are shown in table 6.2 (please see remarks on results including tables and figures section).
The test item concentrations at the given time points are shown in tables 6.3 - 6.5 incl. (please see remarks on results including tables and figures section). - Test performance:
- Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration ranges of 20.2 to 759 mg/l for the pH 4 buffer matrix, 23.1 to 868 mg/l for the pH 7 buffer matrix and 22.3 to 837 mg/l for the pH 9 buffer matrix. These were satisfactory with correlation coefficients of 1.000 being obtained for each matrix. - Transformation products:
- not specified
- Details on hydrolysis and appearance of transformation product(s):
- Less than 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- DT50:
- > 1 yr
- Other kinetic parameters:
- None.
- Details on results:
- At pH4, 7 and 9 there was less than 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
- Validity criteria fulfilled:
- yes
- Conclusions:
- The estimated half-life at 25°C of the test item at pH 4, 7 and 9 is greater than 1 year.
- Executive summary:
Method
The determination was carried out using a procedure designed to be compatible with Method 111 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
Conclusion
The estimated half-lives at 25°C of the test item are shown in the following table:
Table 6.6
pH
Estimated half-life at 25°C
4
>1 year
7
>1 year
9
>1 year
Reference
Results
Preliminary test/Tier 1
The mean peak areas relating to the standard and sample solutions are shown in the following table:
Table 6.2
Solution |
Mean Peak Area |
Standard 531 mg/l |
1.1839 x 107 |
Standard 503 mg/l |
1.1241 x 107 |
Initial Sample A, pH 4 |
1.0595 x 107 |
Initial Sample B, pH 4 |
1.0506 x 107 |
Standard 531 mg/l |
1.1961 x 107 |
Standard 503 mg/l |
1.1302 x 107 |
Initial Sample A, pH 7 |
1.1218 x 107 |
Initial Sample B, pH 7 |
1.0510 x 107 |
Standard 531 mg/l |
1.1966 x 107 |
Standard 503 mg/l |
1.1305 x 107 |
Initial Sample A, pH 9 |
1.1110 x 107 |
Initial Sample B, pH 9 |
1.0417 x 107 |
Standard 529 mg/l |
1.1836 x 107 |
Standard 549 mg/l |
1.2353 x 107 |
24-Hour Sample A, pH 4 |
1.0367 x 107 |
24-Hour Sample B, pH 4 |
1.0812 x 107 |
Standard 529 mg/l |
1.1933 x 107 |
Standard 549 mg/l |
1.2406 x 107 |
24-Hour Sample A, pH 7 |
1.0863 x 107 |
24-Hour Sample B, pH 7 |
1.0800 x 107 |
Standard 529 mg/l |
1.1983 x 107 |
Standard 549 mg/l |
1.2364 x 107 |
24-Hour Sample A, pH 9 |
1.0368 x 107 |
24-Hour Sample B, pH 9 |
1.0327 x 107 |
Standard 533 mg/l |
1.1384 x 107 |
Standard 639 mg/l |
1.3831 x 107 |
120-Hour Sample A, pH 4 |
1.0314 x 107 |
120-Hour Sample B, pH 4 |
1.0311 x 107 |
Standard 533 mg/l |
1.1253 x 107 |
Standard 639 mg/l |
1.3774 x 107 |
120-Hour Sample A, pH 7 |
1.0656 x 107 |
120-Hour Sample B, pH 7 |
1.0783 x 107 |
Standard 533 mg/l |
1.1356 x 107 |
Standard 639 mg/l |
1.3771 x 107 |
120-Hour Sample A, pH 9 |
1.0052 x 107 |
120-Hour Sample B, pH 9 |
9.8957 x 106 |
The test item concentrations at the given time points are shown in the following tables:
Table 6.3 pH 4 at 50.0 ± 0.5ºC
Time (Hours) |
Mean Concentration (g/l) |
% of mean initial concentration (g/l) |
||
A |
B |
A |
B |
|
0 |
0.949 |
0.941 |
- |
- |
24 |
0.924 |
0.963 |
97.8 |
102 |
120 |
0.959 |
0.959 |
102 |
102 |
Result: Less than 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
Table 6.4 pH 7 at 50.0 ± 0.5ºC
Time (Hours) |
Mean Concentration (g/l) |
% of mean initial concentration (g/l) |
||
A |
B |
A |
B |
|
0 |
0.997 |
0.934 |
- |
- |
24 |
0.962 |
0.956 |
99.6 |
99.1 |
120 |
0.999 |
1.01 |
103 |
105 |
Result: Less than 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
Table 6.5 pH 9 at 50.0 ± 0.5ºC
Time (Hours) |
Mean Concentration (g/l) |
% of mean initial concentration (g/l) |
||
A |
B |
A |
B |
|
0 |
0.987 |
0.925 |
- |
- |
24 |
0.918 |
0.914 |
96.0 |
95.6 |
120 |
0.938 |
0.924 |
98.1 |
96.6 |
Result: Less than 10% hydrolysis after 5 days at 50°C, equivalent to a half-life greater than 1 year at 25°C.
Description of key information
The results of an OECD 111 test showed that the estimated half-life at 25°C of 1,1,3,3-tetramethylbutyl hydroperoxide at pH 4, 7 and 9 is greater than 1 year.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 1 yr
- at the temperature of:
- 50 °C
Additional information
One study is available conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines (OECD 111) and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions. The estimated half-life at 25°C of 1,1,3,3-tetramethylbutyl hydroperoxide at pH 4, 7 and 9 is greater than 1 year.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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