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EC number: 812-549-0 | CAS number: 881539-89-5
- 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
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 25 Sep - 16 Oct 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Landesamt für Umwelt, Wasserwirtschaft und Gewerbeaufsicht, Mainz, Germany
- Type of method:
- flask method
Test material
- Reference substance name:
- disodium 4-[(1-hydroxyprop-2-en-1-yl)amino]-4'-(prop-2-enamido)-[1,1'-biphenyl]-2,2'-disulfonate
- EC Number:
- 812-549-0
- Cas Number:
- 881539-89-5
- Molecular formula:
- C18H14N2Na2O8S2
- IUPAC Name:
- disodium 4-[(1-hydroxyprop-2-en-1-yl)amino]-4'-(prop-2-enamido)-[1,1'-biphenyl]-2,2'-disulfonate
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 521.04 g/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 1 330 g/L
- Incubation duration:
- 3 d
- Temp.:
- 20 °C
- pH:
- >= 6.7 - <= 6.84
Any other information on results incl. tables
FINDINGS
Measurements Preliminary Test Concentration Dependency
The data which was acquired for the preliminary test concentration dependency (flasks 1 and 2) is presented in the following table:
Preliminary test concentration dependency
Flask |
Nominal load [kg/L] |
Dilution factor |
Peak area [mAU*min] |
Measured test item concentration [g/L] |
1 |
1.0 |
10000 |
38.427 38.161 |
615.32** |
2 |
1.33 |
10000 |
4.490* 4.691* 38.302 38.672 |
615.74*** |
The dilution was performed twice, because the measurement of the first dilution of flask 2 showed implausible results (measurements, written in italics). A dilution error was assumed, and only the second dilution was taken into account therefore.
** The recovery of the QC sample of 91.8% was taken into account.
*** The recovery of the QC sample of 92.2% was taken into account.
Nearly the same concentration was measured in both flasks: In flask 2 the determined concentration was <1% higher than in flask 1. No concentration dependency was detected.
Measurements during Equilibration
The data which was acquired during equilibration time (flask 1A-C, days 1 – 3) is presented in the following table:
Equilibration phase
Time [h] |
Temperature [°C] |
pH* |
pH** |
Dilution factor |
Peak area [mAU*min] |
Measured values [g/L]** |
24.5 1A |
20.0 |
7 |
6.84 |
10000 |
34.017 33.957 |
530.93 |
49 (1B) |
19.6 |
6.70 |
32.599 32.354 |
507.27 |
||
71 (1C) |
19.6 |
6.82 |
32.415 32.087 |
503.74 |
* pH, tested using indicator paper
** pH, measured using a calibrated pH meter
*** The recovery of the QC sample of 94.4% was taken into account.
As no more rising tendency was observed between samplings at 2 d and 3 d, the plateau was considered reached and sampling of flasks 2-6 was performed at day 7.
Measurements at Plateau
Flask |
Temperature [°C] |
pH* |
Dilution factor |
Peak area [mAU*min] |
Measured values [g/L]** |
2 |
20.4 |
6.82 |
10000 |
32.068 32.020 |
512.99 |
3 |
20.3 |
6.73 |
33.396 33.693 |
537.08 |
|
4 |
20.4 |
6.70 |
32.524 32.241 |
518.43 |
|
5 |
20.3 |
6.72 |
32.689 32.515 |
521.95 |
|
6 |
20.2 |
6.70 |
33.547 33.395 |
535.90 |
* pH at the plateau was measured using a calibrated pH meter
** The recovery of the QC sample of 92.1% was taken into account
Results
The measurements of flasks 1A-C and 2-6 were used for the calculation of the mean.
Flask |
Concentration [g/L] |
Total mean [g/L] |
Total standard deviation [g/L] RSD [%] |
1A |
530.93 |
521.04 |
12.75 (2.4) |
1B |
507.27 |
||
1C |
503.74 |
||
2 |
512.99 |
||
3 |
537.08 |
||
4 |
518.43 |
||
5 |
521.95 |
||
6 |
535.90 |
DISCUSSION
The solubility of AF-959 in water was determined from the measured test item concentrations in the centrifuged and filtrated test solutions.
The solubility, determined during the pre-tests, was approx. 615 g/L. According to the guideline a 5 fold excess of test item should be used for the main test. Because of the high solubility of the test item usage of 5 fold excess was not possible, because not filterable mixtures were obtained. Water was added stepwise to a mixture with nominal load 5 kg/L
during pre-test. The nominal load of 1.33 kg/L resulted in a filterable mixture during pretest.
Therefore this nominal concentration was used for the main test. Because again not filterable mixtures were obtained during the main test, water was added stepwise again.
After the final addition of water, resulting in a nominal concentration of 1.2 kg/L, all flasks were shaken for further 24 h.
Equilibration time can be considered as approximately 3 days, as the measured values after 3 d and after 2 d did not give significantly different values and no rising tendency was
present in the last three flasks (in this case flasks 1A-C).
All replicates showed good correspondence. Mean value and standard deviation of the eight flasks which were used for the calculation of water solubility at the plateau were 521.04 g/L and 12.75 g/L, respectively, corresponding to a relative standard deviation of 2.4%.
The pH value was 6.70 – 6.84 in all eight flasks, the test temperature was in the acceptable range with 19.6 – 20.4 °C over the test duration (measured in the liquid at sampling time points).
No observations arousing doubts concerning the accuracy of the results and the validity of the study were made.
DEVIATIONS
Deviations from the Study Plan
The following deviation from the study plan was ascertained:
¨The temperature range for storage of the test item of 2 – 8 °C was 2 times exceeded: once for 30 minutes with maximum 15.1°C and once for 60 minutes with maximum 13.7°C. This is stated as uncritical, because the deviations occurred for a short time only. No effect on the test item is expected.
Deviations from the Guideline
The following deviation from the guideline was ascertained:
¨The quantity of test substance necessary to saturate the desired volume of water is estimated from the preliminary test. About five times the quantity of test item, necessary for saturation, is used for the main test according to the guideline. Because this nominal concentration resulted in non-filterable mixtures, the highest possible nominal load was chosen for the main test. This is stated as uncritical, because saturation was achieved in the main test.
Applicant's summary and conclusion
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