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EC number: 205-249-0 | CAS number: 136-51-6
- 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
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:
- 2013-04-04 to 2013-04-10
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Remarks:
- , exclusion of O2 and Co2; two vessesls were set up in a parallel design, each solution was sampled several times instead of setting up multiple vessels and sampling solutions from different vessels at each sampling date
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- yes
- Remarks:
- , exclusion of O2 and Co2; two vessesls were set up in a parallel design, each solution was sampled several times instead of setting up multiple vessels and sampling solutions from different vessels at each sampling date
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- signed 2011-02-07
- Type of method:
- flask method
- Water solubility:
- 8.359 g/L
- Conc. based on:
- element (dissolved fraction)
- Remarks:
- Ca
- Loading of aqueous phase:
- 300 g/L
- Incubation duration:
- 3 d
- Temp.:
- 20 °C
- pH:
- >= 6.9 - <= 7.3
- Remarks on result:
- other: dissolved calcium from day 1 until day 3 at a loading of ca. 300 g calcium bis(2-ethylhexanoate) /L
- Water solubility:
- 80.4 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Loading of aqueous phase:
- 300 g/L
- Incubation duration:
- 3 d
- Temp.:
- 20 °C
- pH:
- >= 6.9 - <= 7.3
- Remarks on result:
- other: calculated calcium bis(2-ethylhexanoate) from day 1 until day 3 at a loading of ca. 300 g/L
- Details on results:
- Observations
During the study, undissolved test material was observed in the media in the flasks. After filtration, the solutions were clear. In order to verify this, the turbidity was measured in filtered samples.
Temperature
The temperature in the thermostatically controlled water bath was monitored by a Testo 175-T2 thermo datalogger. The mean temperature was 20.5 ± 0.1 °C.
Temperature monitoring with the respective datalogger is still ongoing, because further metal(soaps) for EBRC are still under investigation.
Monitoring oxygen concentration
During the experimental performance of the test, the oxygen concentration in the acrylic glass box was monitored with a MICRO IV oxygen sensor prior and after sampling. The oxygen values (in %) remained around 0 %. Slightly negative values, though impossible, are due to measurement uncertainties of the device at 0 % oxygen.
Solution pH
Solution pH in method blanks ranged from 5.2 to 5.6, whereas the pH in samples containing the test item ranged from 6.8 – 6.9.
Turbidity
The turbidity was measured after centrifugation and filtration to verify that only dissolved calcium concentrations would get measured. The turbidity was always < 1 NTU, indicating that there was not any undissolved material and micelles did not form after the filtration and centrifugation step. Turbidity data are compiled inTable6andTable7. Method blanks were only filtered and not centrifuged, because the turbidity measurements were always < 1 NTU
Dissolved calcium concentrations
Dissolved calcium concentrations in all method blanks (19.92 – 70.36 µg Ca/ L) sampled at each sampling point were always clearly above the respective limit of quantification LOQ = 1.07 µg Ca/ L). However, compared to concentrations in test item loaded samples the Ca amount in method blanks is << 0.1 %. Alternating concentrations from day 1 to day 3 were observed. Thus, this is not due to contamination of the electrode (used for pH-measurement). In fact, the reason might be a contamination during sampling due to ubiquitous calcium.
Test samples were diluted (dilution factor 10,000) so that the respective Ca concentrations would be in the calibrated range of the ICP-OES instrument. Constant calcium concentrations as defined by the study guideline OECD 105 and the Regulation 440/2008/EC A.6 were measured from day 1 until day 3. - Conclusions:
- Interpretation of results: very soluble (> 10000 mg/L)
The water solubility of the test item calcium bis(2-ethylhexanoate) from day 1 until day 3 of testing is 80.4 ± 4.6 g/L at 20.0 ± 1.0 °C and pH 6.8 – 6.9.
Reference
Method validation summary
validation parameter |
results |
comment |
selectivity |
similar data with at least two different calcium wavelengths for ICP-OES method |
no interferences due to test media observed |
linearity |
applied calibration functions were linear |
correlation coefficient at least 0.999869 |
limits of detection |
0.116– 0.358 µg Ca/L |
|
limits of quantification (LOQ) |
0.348 – 1.07 µg Ca/L |
|
method blanks |
above LOQ but far below conc. in actual samples |
|
accuracy and precision |
Mean recovery for quality control (100 µg Ca/L): |
for concentration range of diluted samples |
accuracy and precision |
Mean recovery for recalibration (500 µg Ca/L): |
for concentration range of diluted samples |
trueness |
recovery from fortification of samples: 96.5 – 98.4 % |
Results
Constant calcium concentrations were measured from day 1 until day 3, i.e. calcium concentrations varied were less than 15 % between sampling points. Therefore, the acceptability criteria of the study guideline OECD 105 and the Regulation 440/2008/EC A.6 could be regarded as fulfilled.
The mean dissolved calcium concentrations of solutions sampled from day 1 until day 3 were calculated.
Mean dissolved Ca concentrations day 1 – day 3:
Vessel 1: 7.990 ± 0.351 g Ca/L
Vessel 2: 8.728 ± 0.208 g Ca/L
The amount of calcium isononanoate dissolved was calculated based on the metal content of the test substance as follows:
= mean of measured Ca concentration * 100 % / 10.4 % [Ca content of test item]
mean calculated calcium isononanoate dissolved day 1 – day 3:
Vessel 1: 76.83 ± 3.38 g/L
Vessel 2: 83.92 ± 2.00 g/L
Conclusion
Under the conditions of this test (under exclusion of CO2 and O2, under inert argon gas; flask method; loadings of and 300.082 and 300.2988 g/L in vessel 1 and 2, respectively), a solubility equilibrium was reached from day 1 until day 3 of testing. The mean amount of dissolved Ca from day 1 until day 3 at 20.0 ± 1.0 °C is 8.359 ± 0.474 g/L (determined as dissolved Ca, separated by from undissolved test item). This corresponds to a calculated water solubility of calcium bis(2-ethylhexanoate) of 80.4 ± 4.6 g/L, calculated based on a calcium content of 10.4 %. Solution pH in method blanks ranged from 5.2 to 5.6, whereas the pH in samples containing the test item ranged from 6.8 – 6.9.
Description of key information
The water solubility of the test item calcium bis(2-ethylhexanoate) from day 1 until day 3 of testing is 80.4 ± 4.6 g/L at 20.0 ± 1.0 °C and pH 6.8 – 6.9.
Key value for chemical safety assessment
- Water solubility:
- 80.4 g/L
- at the temperature of:
- 20 °C
Additional information
The dissolution of calcium from Calcium bis (2-ethylhexanoate) after 2h in simulated gastric acid (pH 1.5) at 0.2 and 2 g/L loading is 90 and 91%, respectively, corresponding to 21.7 and 217 mg Ca/L (ECTX, 2022).
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