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Diss Factsheets
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EC number: - | CAS number: -
- 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 01-11-2019 to 07-05-2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Guideline study performed under GLP. All relevant validity criteria were met.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- Determination of the water solubility of the test item employing the flask method with slow stirring approach.The decision of the slow stirring method was made due to the test item properties. The test guideline was consistent with OECD Guideline 105 (water solubility) modified according to Letinski et. al. (2002) and OECD TG 123 (2006).
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- inspected: July 2016 ; signature: January 2017
- Type of method:
- flask method
- Water solubility:
- 0.001 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 125 h
- Temp.:
- 20 °C
- pH:
- 6
- Conclusions:
- Interpretation of results: insoluble (< 0.1 mg/L)
The test item water solubility was determined to be 0.000603 mg/L (or 603 ng/L) of solution at pH 6.0 and 20.0 ± 0.5 °C - Executive summary:
The water solubility of the test item was determined according to the slow stirring adapted flask method of OECD Method 105 and EU Method A.6 in accordance with GLP. The solubility of the test item inpurified water with resistance 18.2 MΩ/cm (i.e. conductivity: ≤ 0.5 µS/cm) and/or 10 ppb TOCwas determined employing the flask method with slow stirring approach at 20 ± 0.5 °C with incubation at test temperature for at least 72 h (actual: 72.97 hours) before the first sampling. Additionally, two aquatic test media, Elendt-M4 (daphnia) and TG-medium (algae) were used and tested alongside purified water. Details regarding the test for these test systems are given in the full study report. For each test system, nine samplings over 125 h of incubation were performed. The analytical method (GC tandem MS/MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity. The mean water solubility (in double distilled water) of the test item was determined to be 0.000603 mg/L (or 603 ng/L) of solution at pH 6.0 and 20.0 ± 0.5 °C.The validity criterion of the repeatability (< 30% and ideally < 15%) could not be fully fulfilled. This was deemed to be acceptable, due to the combination of the very low solubility and that the used methodology (slow stirring with liquid extraction of the test item) was the only suitable approach for the determination of the water solubility.
Reference
Preliminary test
A non-GLP preliminary test was performed to verify the definitive test study design. For this purpose, 1.8 mL test item was applied on top of approx. 1.8 L purified water (18.2 MOhm/cm) with slow stirring at approx. 20 °C (ambient temperature). After stirring over 2 days, aliquots of approx. 15 mL for the first two samplings (exact volume was determined via weight) were taken and mixed with 10% of the volume (nominal 1.5 mL) of cyclohexane for liquid extraction, corresponding to an enrichment factor of 10, and analysed. After another 4 days, 2 additional aliquots of approx. 10 mL (exact volume was determined via weight) were taken, mixed with 100 μL acetone and used for analysis via SPME. The solubility was determined for all 4 samplings (and both analytical methods) to be in the range of 0.000213 mg/L (or 213 ng/L), verifying the usage of the slow stirring method.
Definitive test:
The solubility of the test item in double distilled water was determined employing the flask method slow stirring approach at 20 ± 0.5 °C. The water solubility was respectively at pH 6.0:
Table 1.0 - Water Solubility Results
Sampling |
Incubation time (1) |
Calculated Concentration (2) |
Overall |
|
Replicate 1 |
Replicate 2 |
|
||
1 |
72.97 |
612 #3 |
569 #3 |
|
2 |
75.83 |
582 #3 |
480 #3 |
|
3 |
78.19 |
558 #3 |
404 #3 |
|
4 |
96.71 |
600 |
482 |
|
5 |
98.93 |
586 |
455 |
|
6 |
101.30 |
724 |
552 |
|
8 |
119.43 |
670 |
633 |
|
7 |
121.77 |
679 |
588 |
|
9 |
124.50 |
744 |
521 |
|
|
Mean |
667 |
538 |
603 |
|
Deviation [%] |
27 |
39 |
24 |
|
SD [ng/L] |
63 |
66 |
|
|
CV [%] |
9.6 |
12 |
|
(#1) : time after application
(#2) : Exact weight of the external standard taken into account
(#3) : Not included in calculation, as measured values were above the calibration range and no retention sample was available. Dilution was adapted for further samples
Note: The water solubility of the test item was determined at 20 ± 0.5 °C to be 0.000603 mg/L (or 603 ng/L (pH 6.0). The validity criterion of the repeatability (< 30% and ideally < 15%) could not be fully fulfilled. This was deemed to be acceptable, due to the combination of the very low solubility and that the used methodology (slow stirring with liquid extraction of the test item) was the only suitable approach for the determination of the water solubility.
Temperatures were kept constant within ± 0.5 °C. The analytical method (GC MS/MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity.
Description of key information
Water Solubility (slow stir) = 0.000603 mg/L (or 0.603 µg/L) at 20 ± 0.5 °C and pH 6.0, OECD TG 105, 2020
Key value for chemical safety assessment
- Water solubility:
- 0.001 mg/L
- at the temperature of:
- 20 °C
Additional information
Key study : OECD TG 105, 2020 : The water solubility of the test item was determined according to the slow stirring adapted flask method of OECD Method 105 and EU Method A.6 in accordance with GLP. The solubility of the test item inpurified water with resistance 18.2 MΩ/cm (i.e. conductivity: ≤ 0.5 µS/cm) and/or 10 ppb TOCwas determined employing the flask method with slow stirring approach at 20 ± 0.5 °C with incubation at test temperature for at least 72 h (actual: 72.97 hours) before the first sampling. Additionally, two aquatic test media, Elendt-M4 (daphnia) and TG-medium (algae) were used and tested alongside purified water. Details regarding the test for these test systems are given in the full study report. For each test system, nine samplings over 125 h of incubation were performed. The analytical method (GC tandem MS/MS, external standard) for the determination of the test item was validated and tested with satisfactory results in regard to linearity, accuracy, precision and specificity. The mean water solubility (in double distilled water) of the test item was determined to be 0.000603 mg/L (or 603 ng/L) of solution at pH 6.0 and 20.0 ± 0.5 °C.The validity criterion of the repeatability (< 30% and ideally < 15%) could not be fully fulfilled. This was deemed to be acceptable, due to the combination of the very low solubility and that the used methodology (slow stirring with liquid extraction of the test item) was the only suitable approach for the determination of the water solubility.
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