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EC number: 275-085-2 | CAS number: 70983-43-6
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 16 November 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Cross-reference
- Reason / purpose for cross-reference:
- reference to other study
Reference
- Endpoint:
- water solubility
- Type of information:
- other: Expert statement supported by experimental data
- Adequacy of study:
- key study
- Study period:
- 19 June 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Well documented expert statement supported by experimental data
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- not applicable
- Remarks:
- not applicable for expert statement
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- Regulation (EC) No 440/2008
- Deviations:
- not applicable
- Remarks:
- not applicable for expert statement
- Principles of method if other than guideline:
- A study according to OECD guideline 105 was initiated. However, based on the preliminary results, a determination of the water solubility of the test item according to TG OECD 105 is not possible, because its water solubility is too high for the approach given by the guideline. Therefore an expert statement was prepared.
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Type of method:
- flask method
- Key result
- Water solubility:
- > 1 000 g/L
- Conc. based on:
- test mat.
- Remarks on result:
- completely miscible
- Remarks:
- Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts” (CAS no. 70983-43-6) is miscible with water in a test item weight to water volume ratio of at least 10:1 at room temperature.
- Details on results:
- Preliminary test
The preliminary test indicated a water solubility of >1.000 g/L, as 0.1 g were completely dissolved in 0.1 mL of ultra-pure water.
Main test
Based on the results of the preliminary test, a determination of the water solubility of the test item “Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts according to TG OECD 105 is not possible, because its water solubility is too high for this approach. - Conclusions:
- The substance “Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts” (CAS no. 70983-43-6) is miscible with water in a test item weight to water volume ratio of at least 10:1 at room temperature as demonstrated in a preliminary test according to OECD 105.
- Executive summary:
It was the aim of this study to determine the water solubility of the test item “Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts“ (CAS no. 70983-43-6) according TG OECD 105.
The preliminary test according to the guideline showed that the test item was very soluble in water, as about 0.1 g could be readily dissolved in 0.1 ml of ultra-pure water corresponding to a water solubility of >1000 g/L.
This result was further confirmed by an additional test, which illustrated that addition of 0.1, 0.5, 1 and 10 mL of ultra-pure water to about 1 g of test item resulted in a clear solution in all cases. This demonstrates that the test item is miscible with water in a test item weight to water volume ratio of at least 10:1.
Based on these results, a determination of the water solubility of the test item according to TG OECD 105 is not possible, because its water solubility is too high for the approach given by the guideline.
The preliminary test according to TG OECD 105 showed that the test item was very soluble in water, as ca. 0.1 g could be readily dissolved in 0.1 ml of ultra-pure water. Based on the testing scheme provided in the guideline and given in the table below, this corresponds to a water solubility of >1000 g/l.
Testing scheme to determine the approximate water solubility in the preliminary test:
mL of water for 0.1 g test item | 0.1 | 0.5 | 1 | 2 | 10 | 100 | >100 |
Approx. solubility in g/L | >1000 | 1000 to 200 | 200 to 100 | 100 to 50 | 50 to 10 | 10 to 1 | <1 |
This result was further confirmed by an additional test, which illustrated that addition of 0.1, 0.5, 1 and 10 ml of ultra-pure water to about 1 g of test item resulted in a clear solution in all cases. This demonstrates that “Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts” (CAS no. 70983-43-6) is miscible with water in a test item weight to water volume ratio of at least 10:1.
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 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- Regulation (EC) No 440/2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts
- EC Number:
- 275-085-2
- EC Name:
- Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts
- Cas Number:
- 70983-43-6
- Molecular formula:
- see structural formula below, for n=4 C13H24N2O3 HO.Na
- IUPAC Name:
- Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts
- Test material form:
- liquid
- Remarks:
- oily liquid
- Details on test material:
- Batch No.: 54542L16
Storage at room temperature, protected from light.
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. -1.08 - <= 2.05
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: mean of two determinations. LogPow is given as a range as the test item is a complex mixture. "Ca." was inserted to pass the completeness, the real lower value is <= -1.08. Range <= -1.08 to 2.05.
- Details on results:
- The dead time was determined to be 1.57 min.
The test item Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts is a complex mixture. Therefore, the log POW is given as a range, which is based on the evaluation of the first and the last test item peak found in the corresponding chromatogram.
The log POW value for the first test item peak with the shortest retention time was extrapolated. As its retention time was slightly shorter than the one for Thiourea, which was used as dead time marker, an extrapolation based on the regression data obtained by the injection of reference items was not possible. Instead, its log POW can be given as less than or equal to the one of Thiourea corresponding to <= -1.08 (exper. database match; Govers H. et al., (1986); EPI Suite v4.11). The log POW value for the last test item peak with the highest retention time was determined to be 2.05 (95% confidence limits: 1.89–2.21) in the first as well as the second determination.
Consequently, the log POW range for the test item „Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts” (CAS no. 70983-43-6), calculated as the mean of both determinations, is <= -1.08 to 2.05 (95% confidence limits for upper value: 1.89–2.21) at pH 7.0.
Any other information on results incl. tables
Regression for the determination of the log POW value of Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts with the single injection run
Plot log POW vs log k:
Last test item peak:
coefficient of regression (r2) | 0.989 |
intercept (A) | 1.348 |
slope (B) | 1.70 |
log POW | 2.05 |
95% confidence interval for log POW | 1.89 - 2.21 |
Regression for the determination of the log POW value of Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts with the mixed injection run
Plot log POW vs log k:
Last test item peak:
coefficient of regression (r2) | 0.989 |
intercept | 1.347 |
slope | 1.70 |
log POW | 2.05 |
95% confidence interval for log POW | 1.89 - 2.21 |
Further remarks:
Generally, TG OECD 117 is not recommended for the log POW determination of surface active substances, which the test item is known to be. However, the OECD 117 is the most suitable test guideline for a complex mixture such as the test item, as its test design is independent of the varying solubilities of the test item components in 1-octanol and water.
In the light of a determined water solubility of >1000 g/L (see cross-ref to water solubility), the obtained log POW range of <= -1.08 to 2.05 seems realistic to slightly overestimated.
Applicant's summary and conclusion
- Conclusions:
- The HPLC method was applied for the determination of the log Pow. The log POW range for the test item „Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts” (CAS no. 70983-43-6), calculated as the mean of both determinations, at pH 7 is <= -1.08 to 2.05 (95% confidence limits for upper value: 1.89–2.21).
- Executive summary:
The log POW of the test item Imidazolium compounds, 2-C4-8 -alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts (CAS no. 70983-43-6) was determined according to TG OECD 117. This determination is based upon a regression analysis of the log POW values of reference items against their respective retention times as determined by HPLC analysis. As the test item is a complex mixture, the log POW is given as a range, which is based on the evaluation of the first and the last test item peak found in the corresponding chromatogram.
The following reference items were used: Caffeine, 4-Acetylpyridine, Acetophenone, Nitrobenzene, Anisole and Toluene. The dead time of the HPLC system was determined with Thiourea.
This set of reference items yielded a calibration with log POW values ranging from -0.07 to 2.7 and retention times ranging from 1.77 min to 9.58 min. The dead time of the HPLC system was 1.57 min.
Two determinations of the log POW value of the test item were conducted using a phosphate buffered system at pH 7.0 by injecting a mixed solution of all reference items as well as the single test item solution twice.
The log POW value for the first test item peak with the shortest retention time was extrapolated. As its retention time was slightly shorter than the one for Thiourea, which was used as dead time marker, an extrapolation based on the regression data obtained by the injection of reference items was not possible. Instead, its log POW can be given as less than or equal to the one of Thiourea corresponding to <= -1.08 (exper. database match; Govers H. et al., (1986); EPI Suite v4.11).
The log POW value for the last test item peak with the latest retention time was determined to be 2.05 (95% confidence limits: 1.89–2.21) in the first as well as the second determination.
Consequently, the log POW range for the test item „Imidazolium compounds, 2-C4-8-alkyl-1-(2-carboxyethyl)-4,5-dihydro-3-(hydroxyethyl), hydroxides, sodium salts”, calculated as the mean of both determinations, is <= -1.08 to 2.05 (95% confidence limits for upper value: 1.89–2.21) at pH 7.0.
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