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EC number: 224-226-6 | CAS number: 4253-90-1
- 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
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- Di-tert-butyl trisulphide
- EC Number:
- 224-226-6
- EC Name:
- Di-tert-butyl trisulphide
- Cas Number:
- 4253-90-1
- Molecular formula:
- C8H18S3
- IUPAC Name:
- di-tert-butyltrisulfane
Constituent 1
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- weighting, accuracy 0.1 mg
stock solution in acetonitrile 1 mg/ml
sterility control - Buffers:
- - pH: 4
- Type and final molarity of buffer: 4.0-4.1
- Composition of buffer:C8H5KO4/NaOH
- pH: 7
- Type and final molarity of buffer: 7.0-7.2
- Composition of buffer:KH2PO4/NaOH
- pH: 9
- Type and final molarity of buffer: 8.9-9.2
- Composition of buffer:H2BO3-KCl/NaOH - Details on test conditions:
- Solutions in buffers were prepared at a concentration of 3.5 mg/L estimated to be half the water solubility limit.
2 preliminary tests were done at 50°C for each of the 3 pH (4, 7 and 9).
Samplings were done at time = 0, 2.4, 24 and 120 hours for 1st preliminary test and at 0 and 120 hours for the 2nd.
In view of the preliminary ests results, a definitive test was done at pH4, at 20, 50 and 65°C
Sterility controls were done (result: no CFU were observed).
- Number of replicates:
- one solution, 2 samples at each time.
- Positive controls:
- no
- Negative controls:
- no
Results and discussion
- Preliminary study:
- In a preliminary test the test item was dissolved in aqueous solutions buffered at pH 4, 7 and 9 and incubated at 50 ± 0.6 °C for maximum of 5 days. At pH values 4 and 7 after 5 days incubation period the test item concentration was found to be below 90 % of the initial concentration.
To verify the results the pre-test was repeated for all three pH values. In case of the pH 7 and 9 the test item reduction was less than 10%. In case of pH 4 a reduction of 16% of the initial value was observed. Although the reduction was only small and a hydrolysis of the test item is very unlikely. A main test was performed at pH 4 to determine the half-life time of Polysulfides, di-tert-Bu at pH 4. - Test performance:
- The test item was dissolved and incubated at approx. 20 °C, 50 °C and 65 °C. The concentration of the test item was determined as a function of time over a period of 32 days. The concentrations were plotted against the time. No clear decrease pattern in the test item concentration can be observed for the solution at pH 4. In case of the experiment performed at 20°C a reduction in concentration of 15% was measured from 5 day incubation to 11 day incubation. However during the further 21 days of the experiment the concentration did not changed by more than 10%. For the experiments performed at 50°C and 65°C a decrease in the test item concentration was observed at begin of the incubation period. However in the course of the experiment the concentration fluctuated and no clear decrease was observed.
- Transformation products:
- no
Dissipation DT50 of parent compound
- Remarks on result:
- other: See remarks
- Remarks:
- Hydrolysis is not the mechanism by which the registered substance degrades.
- Details on results:
- According to the pre-test performed at 50°C the test item is considered hydrolytically stable at pH 7 and 9. For pH 4 the outcome of the experiments gives no clear indication on the hydrolytic properties of the test item. No consistent decrease was observed.Furthermore a hydrolysis of the sulfide bond is not very likely. Thus the observed decrease in concentration is supposed not to be a consequence of a hydrolysis reaction.
TEST CONDITIONS
- pH, sterility, temperature, and other experimental conditions maintained throughout the study: Yes. Sterility was checked with incubation of samples on agar-agar.
- Anomalies or problems encountered (if yes): no significant
Any other information on results incl. tables
Table 1: Results of the first preliminary test at 50°C
pH |
Incubation time |
Measured concentration (mg/L) |
Calculated reduction (%) |
Measured pH |
4 |
0 |
2.884 |
0 |
4.1 |
0 |
2.824 |
4.1 |
||
2.4 |
3.181 |
-12 |
4.1 |
|
2.4 |
3.058 |
-7 |
4.1 |
|
24 |
2.837 |
1 |
4.1 |
|
24 |
2.851 |
0 |
4.1 |
|
120 |
2.629 |
8 |
4.1 |
|
120 |
2.349 |
18 |
4.1 |
|
|
0 |
2.919 |
0 |
7.0 |
0 |
2.704 |
7.0 |
||
2.4 |
2.798 |
1 |
7.0 |
|
24 |
2.621 |
7 |
7.0 |
|
24 |
2.439 |
13 |
7.0 |
|
120 |
2.340 |
17 |
7.0 |
|
120 |
2.349 |
17 |
7.0 |
|
9 |
0 |
3.085 |
0 |
9.0 |
0 |
3.099 |
9.0 |
||
2.4 |
3.227 |
-4 |
8.9 |
|
2.4 |
3.063 |
1 |
8.9 |
|
24 |
3.017 |
2 |
8.9 |
|
24 |
2.764 |
11 |
9.0 |
|
120 |
3.017 |
2 |
9.0 |
|
120 |
2.925 |
5 |
9.0 |
Table 2: Results of the second preliminary test at 50°C
pH |
Incubation time |
Measured concentration (mg/L) |
Calculated reduction (%) |
Measured pH |
4 |
0 |
3.077 |
0 |
4.0 |
0 |
3.078 |
4.0 |
||
120 |
2.645 |
14 |
4.1 |
|
120 |
2.515 |
18 |
4.1 |
|
7 |
0 |
3.216 |
0 |
7.2 |
0 |
3.152 |
7.2 |
||
120 |
3.170 |
1 |
7.1 |
|
120 |
2.773 |
13 |
7.1 |
|
9 |
0 |
3.292 |
0 |
9.2 |
0 |
3.195 |
9.2 |
||
120 |
2.992 |
8 |
9.0 |
|
120 |
2.971 |
8 |
9.0 |
Table 3: Results of the definitive test at pH 4 and 20°C
pH |
Incubation time |
Measured concentration (mg/L) |
Calculated reduction (%) |
4 |
0 |
3.077 |
0 |
0 |
3.078 |
||
120 |
2.645 |
9 |
|
120 |
2.515 |
9 |
|
264 |
3.216 |
28 |
|
264 |
3.152 |
20 |
|
432 |
3.170 |
27 |
|
432 |
2.773 |
24 |
|
600 |
3.292 |
34 |
|
600 |
3.195 |
37 |
|
768 |
2.992 |
27 |
|
768 |
2.971 |
35 |
Table 4: Results of the main test at pH 4 and 50°C
pH |
Incubation time |
Measured concentration (mg/L) |
Calculated reduction (%) |
4 |
0 |
3.160 |
0 |
0 |
3.143 |
||
120 |
2.605 |
17 |
|
120 |
2.465 |
22 |
|
264 |
2.154 |
32 |
|
264 |
2.061 |
35 |
|
432 |
2.192 |
30 |
|
432 |
2.124 |
33 |
|
600 |
1.984 |
37 |
|
600 |
1.873 |
41 |
|
768 |
2.214 |
30 |
|
768 |
2.384 |
24 |
Table 5: Results of the definitive test at pH 4 and 65°C
pH |
Incubation time |
Measured concentration (mg/L) |
Calculated reduction (%) |
4 |
0 |
3.323 |
0 |
0 |
3.158 |
||
120 |
2.496 |
23 |
|
120 |
2.523 |
22 |
|
264 |
2.073 |
36 |
|
264 |
1.805 |
44 |
|
312 |
2.242 |
31 |
|
312 |
2.264 |
30 |
|
432 |
2.079 |
36 |
|
432 |
1.689 |
48 |
|
600 |
1.578 |
51 |
|
600 |
1.846 |
43 |
|
768 |
2.329 |
28 |
|
768 |
2.735 |
16 |
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The test item is considered abiotically stable at pH 7 and 9 under aqueous conditions in the dark. For pH 4, degradation reached a plateau after approximately one third of degradation. The results were inconsistent with an hydrolytic mechanism. Another degradation mechanism is probably at play where an equilibrium is reached with a degradation product (may be in a 2:1 ratio). The degradation rate is low and it is not expected that this would affect the persistency of the substance in the aquatic environment.
- Executive summary:
Aqueous abiotic degradation of polysulfides di-tert-butyl was investigated in a GLP study following OECD TG 111. The purpose of the study was to determine the rate of hydrolysis of the substance (if any) at different environmentally relevant pH. In the preliminary test (tier 1), the test item was dissolved in buffered aqueous solutions (pH 4 - 7 - 9) and incubated at 50°C for 5 days. After 5 days incubation at pH 4 and 7, the test item concentration was found at concentrations slightly below 90% of the initial concentration. Since hydrolysis was not expected with regards to the structure of the substance, the preliminary test was conducted twice at all pH. After 5 days incubation at 50°C, the test item concentration was found above 90% of the initial concentration at pH 7 and 9. The test item concentration still continue to be slightly lower than 90% of the initial concentration at pH 4 (84%). Therefore, the main test was conducted for pH 4 only.
The test item was dissolved in aqueous solution buffered at pH 4. The solutions were incubated at 20°C, 50°C and 65°C. The concentration of the test item was determined after different incubation times. A HPLC method was used for determination of the concentration of the test item. No clear decreasing trend was observed. A decrease of 15% reached a plateau after 11 days incubation at 20°C. At 50°C and 65°C, concentrations fluctuated and no clear decrease was observed.
According to the pre-test performed at 50°C, the test item is considered abiotically stable at pH 7 and 9 under aqueous conditions in the dark. For pH 4, degradation reached a plateau after approximately one third of degradation. The results were inconsistent with an hydrolytic mechanism. Another degradation mechanism is probably at play where an equilibrium is reached with a degradation product (may be in a 2:1 ratio). The degradation rate is low and it is not expected that this would affect the persistency of the substance in the aquatic environment.
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