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EC number: 812-548-5 | CAS number: 1621424-03-0
- 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:
- 27 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:
- {[4-({dimethyl[3-(prop-2-enamido)propyl]azaniumyl}methyl)phenyl]methyl}dimethyl[3-(prop-2-enamido)propyl]azanium dichloride
- EC Number:
- 812-548-5
- Cas Number:
- 1621424-03-0
- Molecular formula:
- C24H40Cl2N4O2
- IUPAC Name:
- {[4-({dimethyl[3-(prop-2-enamido)propyl]azaniumyl}methyl)phenyl]methyl}dimethyl[3-(prop-2-enamido)propyl]azanium dichloride
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 807.14 g/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 7.25 - <= 7.28
Any other information on results incl. tables
Findings
Measurements Preliminary Test concentration dependency
The date 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 |
2.5 |
10000 |
57.682 57.543 |
779.66 |
2 |
3.3 |
10000 |
56.122 56.009 |
759.03 |
Nearly the same concentration was measured in both flasks: In flask 2 the determined concentration was 2.6 % lower 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) (flask) |
Temperature (°C) |
pH* |
Dilution factor |
Peak area (mAU*min) |
Measured values (g/L) |
QC recovery (%) |
Difference to previous sample (%) |
24.5 (1A) |
20.3 |
7 |
10000 |
56.184 |
813.25 |
93.3 |
-- |
51 (1B) |
55.302 55.501 |
804.04 |
-1.1 |
||||
73 (1C) |
56.257 56.104 |
815.18 |
+1.4 |
* pH during equilibration phase was tested using indicator paper
Measurements at Plateau
Flask |
Temperature (°C) |
pH* |
Dilution factor |
Peak area (mAU*min) |
Measured values (g/L) |
2 |
19.6 |
7 |
10000 |
59.887 59.121 |
841.06 |
3 |
19.6 |
56.329 56.062 |
794.95 |
||
4 |
19.7 |
55.709 56.036 |
790.44 |
||
5 |
19.7 |
56.530 56.542 |
799.69 |
||
6 |
19.7 |
56.665 56.235 |
798.49 |
* pH was tested using indicator paper, because no sufficient solution was available for measurement with pH meter
Because the pH could not be measured with pH meter in flasks 2 -6 due to insufficient amount of solution, pH measurement was performed in 3 separately prepared approaches.
pH measurement separately prepared approaches
Flask |
Temperature (°C) |
pH* |
1 |
20.3 |
7.28 |
2 |
7.25 |
|
3 |
7.28 |
*pH was measured with pH meter
Results
The measurements of all flasks were used for the calculation of the mean.
Measurements used for calculation of solubility
Flask |
Concentration (g/L) |
Total mean (g/L) |
Total standard deviation (g/L) Relative standard deviation (%) |
1A |
813.25 |
807.14 |
16.13 (2.0) |
1B |
804.04 |
||
1C |
815.18 |
||
2 |
841.06 |
||
3 |
794.95 |
||
4 |
790.44 |
||
5 |
799.69 |
||
6 |
798.49 |
Mean at the plateau is 807.14 ± 16.13 g/L.
Discussion
The solubility of the test item in water was determined from the measured test item concentrations in the centrifuged and filtrated test solutions.
In the pre-test, the test tube with a nominal concentrations of > 1000 g/L appeared clear.
Additional pre-tests showed a solubility range of 1.25 - 1.7 kg/L. Because of low wettability of the test item a pre-test for wettability was performed and showed, that in a test item/water mixture of ≤5 kg/L the test item is wetted sufficiently. Therefore, the dependency of solubility on nominal load was tested with nominal loads 2.5 and 3.3 kg/L. Both test item/water mixtures were treated by ultrasonic for 10 minutes and were shaken for 22 hours. In the filtrates nearly the same solubility was measured: flask 1, 779.66 g/L and flask 2 759.03 g/L. Therefore no concentration dependency was assumed. In the main test, the same nominal concentration was chosen for all flasks.
As the samplings from the last two flasks (in this case flasks 1B and 1C) showed a variation of less than 15 % and no rising tendency was present in the last three flasks (in this case flasks 1A-C), the final measurement was performed as determination from replicates 2 – 6.
All replicates showed good correspondence. Mean solubility of all flasks of the main test was 807.14 g/L. Standard deviation of the eight flasks which were used for the calculation of water solubility at the plateau was 16.13 g/L, corresponding to a relative standard deviation of 2.0 %. Because the pH could not be measured with pH meter in flasks 2 -6 due to insufficient amount of solution, pH measurement was performed in 3 separately prepared approaches.
The pH value was 7.25 – 7.28 in all 3 flasks.
The test temperature was in the acceptable range with 19.6 – 20.3 °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 from the Study Plan
The following deviations from the study plan were 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.
Sampling for flask 1B was performed after 51 h shaking instead of 48 ± 2 h. This is stated as uncritical, because the deviation is small.
Deviations from the Guideline
No deviations from the guideline were observed.
Applicant's summary and conclusion
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