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EC number: 270-336-2 | CAS number: 68425-16-1
- 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- June 15, 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Most of the validity criteria were met, but no reference data were available with results above the obtained value and the purities of the reference substances are not reported. Results for the test substance were extrapolated. GLP-compliant, guideline study. Reliable with restrictions.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))
- Deviations:
- yes
- Remarks:
- A reference item with a Koc above the obtained value was not available so the Koc was extrapolated on the basis of the available reference items.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC estimation method
- Media:
- other: cyanopropyl in the stationary phase
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
No data reported - Radiolabelling:
- not specified
- Test temperature:
- 25 +/- 1°C
- Details on study design: HPLC method:
- HPLC using DAD detector and cyanopropyl in the stationary phase and tetrahydrofuran/pure water (55%/45% v/v) in the mobile phase. 10 mg/L each of 7 structurally heterogeneous reference substances from the guidelines, with reported log Kocs, were used to calibrate the elution time. Retention times were recorded after the injection of both separate and mixed reference items. The mixed reference item was injected before and after each of the three injections of test item. Sodium nitrate was also injected three times in order to determine dead time.
- Analytical monitoring:
- no
- Details on sampling:
- No data reported
- Details on matrix:
- No data reported
- Details on test conditions:
- Test item was dissolved in Tetrahydrofuran to a concentration of 1 g/L, and this was further diluted with mobile phase to concentrations of 10 and 100 mg/L.
- Sample No.:
- #1
- Duration:
- 7.653 min
- Initial conc. measured:
- 10 other: mg/L test substance
- Temp.:
- 25 °C
- Sample No.:
- #2
- Duration:
- 7.653 min
- Initial conc. measured:
- 10 other: mg/L test substance
- Temp.:
- 25 °C
- Sample No.:
- #3
- Duration:
- 7.573 min
- Initial conc. measured:
- 10 other: mg/L test substance
- Temp.:
- 25 °C
- Computational methods:
- No data reported
- Type:
- log Koc
- Value:
- 8.5
- Temp.:
- 25 °C
- Remarks on result:
- other: synthetic solid phase used
- Details on results (HPLC method):
- The log Koc of the test item is above the highest value of the reference items (4.09) and was extrapolated to a value of 8.5.
- Transformation products:
- not measured
- Statistics:
- A calibration curve determined from the 7 reference substances was used to determine the adsorption coefficient. Between the log Koc range of 1.25 and 4.09, the linearity of the method was proven. The log Koc of the test item is above the highest value of the reference items (4.09) and was extrapolated to a value of 8.5.
- Validity criteria fulfilled:
- no
- Remarks:
- Most of the validity criteria were met, but no reference data were available with results above the obtained value and the purity of the reference substances were not reported.
- Conclusions:
- The adsorption/desorption coefficient of polysulfide di-tert-nonyl has been read across from polysulfide di-tert-dodecyl. The log Koc of the test item is above the highest value of the reference items (4.09) and was extrapolated to a value of 8.5.
- Executive summary:
The adsorption/desorption coefficient of polysulfide di-tert-nonyl has been read across from polysulfide di-tert-dodecyl. Mollandin (2010) is a GLP-compliant study following OECD guideline 121. The validity criteria were not met as no reference data were available with results above the obtained value and the purity of the reference substances were not reported. The log Koc of the test substance has therefore been extrapolated. This study is considered reliable and suitable for this endpoint.
- Endpoint:
- adsorption / desorption: screening
- Remarks:
- adsorption
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- Up to 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR calculation, limitations in design and reporting but otherwise adequate for assessment
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- (Q)SAR: QSAR linear regression analysis equations were developed utilizing Molecular Connectivity Index (MCI) and with log Kow as descriptor variable. Equations were calculated using data gathered from Schuurmann (2006) and other sources, split into polar and non-polar groups.
- GLP compliance:
- not specified
- Type of method:
- other: calculation
- Media:
- soil
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
No data reported - Radiolabelling:
- not specified
- Test temperature:
- No data reported
- Details on study design: HPLC method:
- No data reported
- Analytical monitoring:
- not required
- Details on sampling:
- No data reported
- Details on matrix:
- No data reported
- Details on test conditions:
- No data reported
- Computational methods:
- Results Using Molecular Connectivity Index: The equation derived by the non-polar (no correction factor) regression is: log Koc = 0.5213 MCI + 0.60 (n = 69, r2 = 0.967, std dev = 0.247, avg dev = 0.199)
Results Using Log Kow: The equation derived by the non-polar (no correction factor) regression is: log Koc = 0.8679 Log Kow - 0.0004 (n = 68, r2 = 0.877, std dev = 0.478, avg dev = 0.371) - Type:
- Koc
- Value:
- 179 200 000
- Type:
- log Koc
- Value:
- 8.253
- Details on results (HPLC method):
- No data reported
- Adsorption and desorption constants:
- No data reported
- Recovery of test material:
- No data reported
- Concentration of test substance at end of adsorption equilibration period:
- No data reported
- Concentration of test substance at end of desorption equilibration period:
- No data reported
- Transformation products:
- not specified
- Details on results (Batch equilibrium method):
- No data reported
- Statistics:
- No data reported
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The range of log Koc for polysulfide di-tert-nonyl is calculated to be 8.2533 (log Kow method) to 5.7234 (Molecular Connectivity Index).
- Executive summary:
The use of a QSAR to predict the log Koc is an appropriate technique and is suitable for use as a supporting study for this endpoint.
Referenceopen allclose all
Sample |
Retention Time (min) | Capacity factor | log K | log Koc |
10mg/L test substance | 7.653 | 6 | 0.78 | 8.5 |
10mg/L test substance | 7.653 | 6 | 0.78 | 8.5 |
10mg/L test substance | 5.573 | 5.93 | 0.77 | 8.4 |
Mean Value | 7.63 | 5.98 | 0.78 | 8.5 |
Reference Item | Retention Time (min) | Log Koc |
Sodium nitrate (dead time) | 1.09 | n.a. |
Acetanilide | 2.86 | 1.25 |
Methylbenzoate | 3.39 | 1.8 |
Triadimenol | 3.39 | 2.4 |
Linuron | 3.39 | 2.59 |
1,2,3-Trichlorobenzene | 3.81 | 3.16 |
Pyrazophos | 4.04 | 3.65 |
Phenanthrene | 4.04 | 4.09 |
Description of key information
The adsorption/desorption coefficient of polysulfide di-tert-nonyl has been read across from polysulfide di-tert-dodecyl. The log Koc of the test item is above the highest value of the reference items (4.09) and was extrapolated to a value of 8.5.
Key value for chemical safety assessment
- Koc at 20 °C:
- 316 227 766
Additional information
The adsorption/desorption coefficient of polysulfide di-tert-nonyl has been read across from polysulfide di-tert-dodecyl. Mollandin (2010) is a GLP-compliant study following OECD guideline 121. As no reference data were available with results above the obtained value, the log Koc of the test substance has been extrapolated. This is supported by a QSAR value (USEPA 2009).
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