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EC number: 254-751-6 | CAS number: 40018-26-6
- 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
- Study period:
- 2004-07-02 to 2004-11-25
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 005
- Report date:
- 2005
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Version / remarks:
- 12 May 1981.
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- 1,4-dithiane-2,5-diol
- EC Number:
- 254-751-6
- EC Name:
- 1,4-dithiane-2,5-diol
- Cas Number:
- 40018-26-6
- Molecular formula:
- C4H8O2S2
- IUPAC Name:
- 1,4-dithiane-2,5-diol
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: approximately 4°C, in the dark - Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent/transformation products: 0 h, 2.4 h, 24 h, 120 h
- Sampling method: Aliquots of the sample solutions were taken from the flasks at various times and the pH of each solution recorded. The concentration of the sample solution was determined by gas chromatography (GC).
Samples: Duplicate aliquots (A and B, 10 mL) were frozen and freeze dried. The residue was re-dissolved in 20 ml of derivatizing agent (Pyridine: hexamethylsilazane: chlorotrimethylsilane (10:2:1 v/v/v)) and allowed to stand for 30 minutes. The resulting solution was then centrifuged (6000 rpm, 10 minutes) and the supernatant solution taken for analysis. Standards: Duplicate standard solutions of test material were prepared in derivatizing agent (see above) at a nominal concentration of 750 mg/L.
- Sampling intervals/times for pH measurements: 0 h, 2.4 h, 24 h, 120 h - Buffers:
- - pH: 1.2
- Type and final molarity of buffer:
- Composition of buffer: 5.04E-002 mol/L Potassium chloride, 6.48E-002 mol/L Hydrochloric acid
- pH: 4
- Type and final molarity of buffer:
- Composition of buffer: 0.01 mol/L Potassium hydrogen phthalate
- pH: 7
- Type and final molarity of buffer:
- Composition of buffer: 6.00E-003 mol/L Disodium hydrogen orthophosphate (anhydrous), 4.00E-003 mol/L Potassium dihydrogen orthophosphate, 4.00E-003 mol/L Sodium chloride
- pH: 9
- Type and final molarity of buffer:
- Composition of buffer: 0.01 (2.00E-003*) mol/L Disodium tetraborate, 0.02 (4.00E-003*) mol/L Sodium chloride
* lower concentration used for preliminary test only, as was found to be insufficient to hold samples at required pH.
The buffer solutions were 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 degassing with nitrogen to minimise dissolved oxygen content. - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: stoppered glass flasks
- Sterilisation method: The buffer solutions were filtered through a 0.2 µm membrane filter to ensure they were sterile before commencement of the test.
- Lighting: none
- Measures taken to avoid photolytic effects: The solutions were shielded from light whilst maintained at the test temperature.
- If no traps were used, is the test system closed/open: closed
OTHER TEST CONDITIONS
- Preparation of samples: Sample solutions were prepared in stoppered glass flasks at a nominal concentration of 1.5 g/L in the three buffer solutions.
- Preliminary test: Sample solutions at pH 4, 7 and 9 were maintained at 50.0 ± 0.5°C for a maximum period of 120 hours.
- Hydrolysis of unstable substances: Results from the Preliminary test showed it was necessary to undertake further testing at pH 4, pH 7 and pH 9, with solutions being maintained at temperatures in the range of 40 to 70 ± 0.5°C for periods of up to 240 hours.
- Hydrolysis at pH 1.2: Results from testing at pH 4 showed it was necessary, in accordance with the guideline, to undertake a further test at pH 1.2 with solutions being maintained at 37.0 ± 0.5°C for a period of 24 hours.
- Positive controls:
- not specified
- Negative controls:
- not specified
- Statistical methods:
- Treatment of results
Graphs of the common logarithm of the concentration (g/L) versus time (hours) were plotted for pH 4, pH 7 and pH 9 at the various temperatures and the rate constant and half-life calculated using the equations indicated below.
By plotting the natural logarithm of the rate constants against the reciprocal of the temperature (K), the rate constant and half-lives at 25°C were obtained by extrapolation.
Results and discussion
- Preliminary study:
- Greater than 10% hydrolysis occured in 120 hours; the test material was therefore classified as ‘unstable’ as stated in Method 111 of the OECD Guidelines for Testing of Chemicals. Therefore further testing, conducted at 50, 60 and 70°C, was required to estimate the rate constant and half-life.
- Transformation products:
- not specified
Total recovery of test substance (in %)open allclose all
- % Recovery:
- 28.1
- pH:
- 1.2
- Temp.:
- 37 °C
- Duration:
- 24 h
- % Recovery:
- 86.5
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 72 h
- % Recovery:
- 79.1
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 96 h
- % Recovery:
- 72.8
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 118.5 h
- % Recovery:
- 67.7
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 144 h
- % Recovery:
- 61.8
- pH:
- 4
- Temp.:
- 50 °C
- Duration:
- 168 h
- % Recovery:
- 49.8
- pH:
- 4
- Temp.:
- 60 °C
- Duration:
- 72 h
- Remarks on result:
- other: Test A
- % Recovery:
- 29.8
- pH:
- 4
- Temp.:
- 60 °C
- Duration:
- 96 h
- Remarks on result:
- other: Test A
- % Recovery:
- 30.3
- pH:
- 4
- Temp.:
- 60 °C
- Duration:
- 120 h
- Remarks on result:
- other: Test A
- % Recovery:
- 21.7
- pH:
- 4
- Temp.:
- 60 °C
- Duration:
- 144 h
- Remarks on result:
- other: Test A
- % Recovery:
- 17
- pH:
- 4
- Temp.:
- 60 °C
- Duration:
- 168 h
- Remarks on result:
- other: Test A
- % Recovery:
- 13.1
- pH:
- 4
- Temp.:
- 60 °C
- Duration:
- 240 h
- Remarks on result:
- other: Test A
- % Recovery:
- 42.1
- pH:
- 4
- Temp.:
- 60 °C
- Duration:
- 72 h
- Remarks on result:
- other: Test B
- % Recovery:
- 38.6
- pH:
- 4
- Temp.:
- 60 °C
- Duration:
- 96 h
- Remarks on result:
- other: Test B
- % Recovery:
- 23.8
- pH:
- 4
- Temp.:
- 60 °C
- Duration:
- 120 h
- Remarks on result:
- other: Test B
- % Recovery:
- 22.2
- pH:
- 4
- Temp.:
- 60 °C
- Duration:
- 144 h
- Remarks on result:
- other: Test B
- % Recovery:
- 28.3
- pH:
- 4
- Temp.:
- 60 °C
- Duration:
- 168 h
- Remarks on result:
- other: Test B
- Remarks:
- Timepoint not used in further calculations, due to extraneous point obtained.
- % Recovery:
- 7.23
- pH:
- 4
- Temp.:
- 60 °C
- Duration:
- 240 h
- Remarks on result:
- other: Test B
- % Recovery:
- 68.7
- pH:
- 4
- Temp.:
- 70 °C
- Duration:
- 18 h
- % Recovery:
- 64.3
- pH:
- 4
- Temp.:
- 70 °C
- Duration:
- 21 h
- % Recovery:
- 49.6
- pH:
- 4
- Temp.:
- 70 °C
- Duration:
- 24 h
- % Recovery:
- 43.2
- pH:
- 4
- Temp.:
- 70 °C
- Duration:
- 42 h
- % Recovery:
- 38.7
- pH:
- 4
- Temp.:
- 70 °C
- Duration:
- 45 h
- % Recovery:
- 29.4
- pH:
- 4
- Temp.:
- 70 °C
- Duration:
- 48 h
- % Recovery:
- 101
- pH:
- 7
- Temp.:
- 40 °C
- Duration:
- 2 h
- % Recovery:
- 95.8
- pH:
- 7
- Temp.:
- 40 °C
- Duration:
- 4 h
- % Recovery:
- 92.9
- pH:
- 7
- Temp.:
- 40 °C
- Duration:
- 6 h
- % Recovery:
- 58.6
- pH:
- 7
- Temp.:
- 40 °C
- Duration:
- 22 h
- % Recovery:
- 57.5
- pH:
- 7
- Temp.:
- 40 °C
- Duration:
- 24 h
- % Recovery:
- 52.1
- pH:
- 7
- Temp.:
- 40 °C
- Duration:
- 26 h
- % Recovery:
- 85.3
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 2 h
- Remarks on result:
- other: Test A
- % Recovery:
- 79.3
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 3 h
- Remarks on result:
- other: Test A
- % Recovery:
- 70
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 4 h
- Remarks on result:
- other: Test A
- % Recovery:
- 59.4
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 5 h
- Remarks on result:
- other: Test A
- % Recovery:
- 51.4
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 6 h
- Remarks on result:
- other: Test A
- % Recovery:
- 45.7
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 7 h
- Remarks on result:
- other: Test A
- % Recovery:
- 85.8
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 2 h
- Remarks on result:
- other: Test B
- % Recovery:
- 76.8
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 3 h
- Remarks on result:
- other: Test B
- % Recovery:
- 67
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 4 h
- Remarks on result:
- other: Test B
- % Recovery:
- 62.4
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 5 h
- Remarks on result:
- other: Test B
- % Recovery:
- 55.8
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 6 h
- Remarks on result:
- other: Test B
- % Recovery:
- 49.1
- pH:
- 7
- Temp.:
- 50 °C
- Duration:
- 7 h
- Remarks on result:
- other: Test B
- % Recovery:
- 69.9
- pH:
- 7
- Temp.:
- 60 °C
- Duration:
- 1 h
- % Recovery:
- 55.5
- pH:
- 7
- Temp.:
- 60 °C
- Duration:
- 1.5 h
- % Recovery:
- 44.8
- pH:
- 7
- Temp.:
- 60 °C
- Duration:
- 2 h
- % Recovery:
- 33.8
- pH:
- 7
- Temp.:
- 60 °C
- Duration:
- 2.5 h
- % Recovery:
- 31
- pH:
- 7
- Temp.:
- 60 °C
- Duration:
- 3 h
- % Recovery:
- 23.4
- pH:
- 7
- Temp.:
- 60 °C
- Duration:
- 3.5 h
- % Recovery:
- 89.2
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 1 h
- Remarks on result:
- other: Test A
- % Recovery:
- 78
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 2 h
- Remarks on result:
- other: Test A
- % Recovery:
- 68.5
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 3 h
- Remarks on result:
- other: Test A
- % Recovery:
- 58.3
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 4 h
- Remarks on result:
- other: Test A
- % Recovery:
- 48.8
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 5 h
- Remarks on result:
- other: Test A
- % Recovery:
- 46.5
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 6 h
- Remarks on result:
- other: Test A
- % Recovery:
- 80
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 1 h
- Remarks on result:
- other: Test B
- % Recovery:
- 63.5
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 2 h
- Remarks on result:
- other: Test B
- % Recovery:
- 49.5
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 3 h
- Remarks on result:
- other: Test B
- % Recovery:
- 42
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 4 h
- Remarks on result:
- other: Test B
- % Recovery:
- 35.8
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 5 h
- Remarks on result:
- other: Test B
- % Recovery:
- 30.8
- pH:
- 9
- Temp.:
- 30 °C
- Duration:
- 6 h
- Remarks on result:
- other: Test B
- % Recovery:
- 59.3
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 1 h
- Remarks on result:
- other: Test A
- Remarks:
- Samples for this test were run incorrectly on the instrument, meaning sample A and B had to be calculated separately for each timepoint. This error was considered to have had a negligible effect on the study. Percent of initial calculated from the mean initial concentration.
- % Recovery:
- 59.5
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 1 h
- Remarks on result:
- other: Test B
- Remarks:
- see above
- % Recovery:
- 41.5
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 2 h
- Remarks on result:
- other: Test A
- Remarks:
- see above
- % Recovery:
- 42.1
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 2 h
- Remarks on result:
- other: Test B
- Remarks:
- see above
- % Recovery:
- 29.5
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 3 h
- Remarks on result:
- other: Test A
- % Recovery:
- 31.3
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 3 h
- Remarks on result:
- other: Test B
- % Recovery:
- 21.8
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 4 h
- Remarks on result:
- other: Test A
- % Recovery:
- 22.3
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 4 h
- Remarks on result:
- other: Test B
- % Recovery:
- 15.9
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 5 h
- Remarks on result:
- other: Test A
- % Recovery:
- 16.4
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 5 h
- Remarks on result:
- other: Test B
- % Recovery:
- 13.8
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 6 h
- Remarks on result:
- other: Test A
- % Recovery:
- 14.2
- pH:
- 9
- Temp.:
- 40 °C
- Duration:
- 6 h
- Remarks on result:
- other: Test B
Dissipation DT50 of parent compoundopen allclose all
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- ca. 179 d
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- ca. 272 h
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- 0 s-1
- DT50:
- 6.08 h
- Type:
- (pseudo-)first order (= half-life)
- Other kinetic parameters:
- After 24 hours at pH 1.2 and 37°C, 28.1% of the test material remained.
The kinetics of the study have been determined to be consistent with that of a pseudo-first order reaction as the graphs of log10 concentration versus time are straight lines.
It has been observed that the rate of hydrolysis increases with an increase in pH. - Details on results:
- MAJOR TRANSFORMATION PRODUCTS
none determined
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Remarks:
- please refer to Overall remarks
- Conclusions:
- The rate constant and estimated half-life at 25°C of the test material are:
4.47E-008/ sec at pH 4, corresponding to an estimated half-life of 179 days at pH 4; 7.07E-007/ sec at pH 7, corresponding to an estimated half-life of 272 hours at pH 7; 3.17E-005/ sec at pH 9, corresponding to an estimated half-life of 6.08 hours at pH 9.
After 24 hours at pH 1.2 and 37°C, 28.1% of the test material remained.
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