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EC number: 204-625-1 | CAS number: 123-41-1
- 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
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- The partition coefficient was calculated using the OPERA calculation model.
- Type:
- log Pow
- Partition coefficient:
- -0.383
- Remarks on result:
- other: This is a calculation conducted using the OPERA calculation model. As such, the information on Temperature, pH can not be filled in.
- Conclusions:
- The logKow of pure choline hydroxide was calculated to be -0.383.
- Executive summary:
The partition coefficient of pure choline hydroxide was calculated with OPERA Model calculation. The logKow was calculated to be -0.383.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2013-03-21 to 2013-03-22
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Well-documented guideline study according to OECD 107. The fact that Choline hydroxide was tested as 45 % aqueous solution is not expected to influence the outcome of the partition coefficient testing.
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: potentiometric titration
- Type:
- log Pow
- Partition coefficient:
- -2.25
- Temp.:
- 25 °C
- pH:
- 11.3
- Remarks on result:
- other: average out of 6 determinations
- Type:
- log Pow
- Partition coefficient:
- -2.301
- Temp.:
- 25 °C
- pH:
- 11.61
- Remarks on result:
- other: Weight of sample: 18.039 mg, ratio n-octanol:water (ml:ml) = 18:18
- Type:
- log Pow
- Partition coefficient:
- -2.523
- Temp.:
- 25 °C
- pH:
- 11.6
- Remarks on result:
- other: Weight of sample: 18.039 mg, ratio n-octanol:water (ml:ml) = 18:18
- Type:
- log Pow
- Partition coefficient:
- -2.222
- Temp.:
- 25 °C
- pH:
- 11.38
- Remarks on result:
- other: Weight of sample: 12.026 mg, ratio n-octanol:water (ml:ml) = 24:12
- Type:
- log Pow
- Partition coefficient:
- -2.097
- Temp.:
- 25 °C
- pH:
- 11.39
- Remarks on result:
- other: Weight of sample: 12.026 mg, ratio n-octanol:water (ml:ml) = 24:12
- Type:
- log Pow
- Partition coefficient:
- -2.097
- Temp.:
- 25 °C
- pH:
- 10.81
- Remarks on result:
- other: Weight of sample: 3.006 mg, ratio n-octanol:water (ml:ml) = 12:24
- Type:
- log Pow
- Partition coefficient:
- -2.398
- Temp.:
- 25 °C
- pH:
- 10.92
- Remarks on result:
- other: Weight of sample: 3.006 mg, ratio n-octanol:water (ml:ml) = 12:24
- Conclusions:
- The partition coefficient of a 45 % aqueous solution of choline hydroxide was determined according to OECD 107 without restrictions to be -2.25 at 25 °C ± 1 °C. The quality criterion is fulfilled, i.e. the determined values of the partition coefficient of all six replicates expressed as their common logarithms fall within a range of ± 0.3 log units. Due to the ionic structure and rather small molecular weight of the substance, this result is in the scientifically expected range and can be used for further risk assessment.
In addition, the only difference between the test item and the registered substance is an additional amount of 55 % water. This addition is not considered relevant as i.a. the distribution of the compound in water is measured after the establishment of the equilibrium, and hence the logPow of the test item and pure Choline hydroxide are considered be identical (-2.25). - Executive summary:
The water/octanol partition coefficient of a 45 % aqueous solution of choline hydroxide was determined according to OECD 107, shake flask method, without restrictions to be -2.25 at 25 °C ± 1 °C.
The only difference between the test item and the registered substance is an additional amount of 55 % water. This addition is not considered relevant as i.a. the distribution of the compound in water is measured after the establishment of the equilibrium, and hence the logPow of the test item and pure Choline hydroxide are considered be identical (-2.25).
As such, the study was classified as Klimisch 1, fulfills the guideline requirements and the results meet the quality criterion therein.
Referenceopen allclose all
The stability of Stock Solutions 1, 2, and 3 from which the test solutions were prepared was checked alongside the sample analysis. These solutions were analysed at the end of the partition coefficient test experimental work and the concentration of test substance present was determined. These values were then compared with the theoretical concentrations of the solutions.
A value of 1036 mg/L was determined for Stock Solution 1. Comparison of this value with the theoretical concentration of the solution (1002.15 mg/L) indicates a 103.4 % recovery.
A value of 520 mg/L was determined for Stock Solution 2. Comparison of this value with the theoretical concentration of the solution (501.08 mg/L) indicates a 103.8 % recovery.
A value of 260 mg/L was determined for Stock Solution 3. Comparison of this value with the theoretical concentration of the solution (250.54 mg/L) indicates a 103.8 % recovery.
These values were deemed to show that there has been no significant degradation of the stock solutions in terms of concentration over the test period and therefore the solutions used in the test were considered to have been stable for the duration of the test.
The pH of the water layers and the presaturated water blank was measured on completion of the partition coefficient shake flask test period, using a Sirius GLpH automatic pH meter which was calibrated prior to measurements being performed.
Table 1: Summary of Results
Calculation of Partition Coefficient (SOP 049.02) |
|
|
|
|
|
|
| TEST 1A | TEST 1B | TEST 2A | TEST 2B | TEST 3A | TEST 3B |
Weight of Sample mg | 18.039 | 18.039 | 12.026 | 12.026 | 3.006 | 3.006 |
|
|
|
|
|
|
|
Volume of n-Octanol Saturated Water mLs | 18 | 18 | 24 | 24 | 12 | 12 |
Volume of Water Saturated n-Octanol mLs | 18 | 18 | 12 | 12 | 24 | 24 |
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|
|
|
|
|
Dilution of n-Octanol Layers (If examined neat enter 1) | 1 | 1 | 1 | 1 | 1 | 1 |
Concentration in n-Octanol phase mg/L | 5 | 3 | 3 | 4 | 2 | 1 |
Concentration in n-Octanol phase x dilution mg/L | 5 | 3 | 3 | 4 | 2 | 1 |
Number of mg in n-Octanol phase | 0.090 | 0.054 | 0.036 | 0.048 | 0.048 | 0.024 |
|
|
|
|
|
|
|
Dilution of Water Layers (If examined neat enter 1) | 1 | 1 | 1 | 1 | 1 | 1 |
Concentration in Water phase mg/L | 1058.000 | 1064.000 | 522.000 | 526.000 | 264.000 | 268.000 |
Concentration in Water phase x dilution mg/L | 1058.000 | 1064.000 | 522.000 | 526.000 | 264.000 | 268.000 |
Number of mg in Water phase | 19.044 | 19.152 | 12.528 | 12.624 | 3.168 | 3.216 |
Total Number of mg recovered | 19.134 | 19.206 | 12.564 | 12.672 | 3.216 | 3.240 |
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|
p = conc in octanol/conc in water | 0.005 | 0.003 | 0.006 | 0.008 | 0.008 | 0.004 |
Mean P for each test condition | 0.004 |
| 0.007 |
| 0.006 |
|
Mean P for all determinations | 0.006 |
|
|
|
|
|
Standard deviation of individual P from mean P | 0.002 |
|
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|
|
|
Log P | -2.301 | -2.523 | -2.222 | -2.097 | -2.097 | -2.398 |
Log mean P for all determinations (2dp) | -2.25 |
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|
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|
pH of aqueous layer | 11.61 | 11.66 | 11.38 | 11.39 | 10.81 | 10.92 |
The quality criterion in Guideline 107 for repeatability of results states that the determined values of the partition coefficient expressed as their common logarithms should fall within a range of ± 0.3 log units. All six replicates reported above meet this criterion.
Description of key information
Partition coefficient: -2.25 at 25 ± 1 °C (OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method))
Calculated partition coefficient with OPERA Model: logKow = -0.383.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.25
- at the temperature of:
- 25 °C
Additional information
The partition coefficient of a 45 % Choline hydroxide solution was determined according to OECD 107, shake flask method, without restrictions to be -2.25 at 25 ± 1 °C. The study was classified as Klimisch 1, fulfills the guideline requirements and the results meet the quality criterion therein, i.e. the determined values of the partition coefficient of all six replicates expressed as their common logarithms fall within a range of ± 0.3 log units. The only difference between the test item and the registered substance is an additional amount of 55 % water. This addition is not considered relevant as i.a. the distribution of the compound in water is measured after the establishment of the equilibrium, and hence the logPow of the test item and pure Choline hydroxide are considered be identical (-2.25).
Due to the ionic structure and rather small molecular weight of the substance, this result is in the scientifically expected range and can be used for further risk assessment.
This negative partition has a strong impact on further risk assessment, e.g. indicates no potential of the substance for bioaccumulation or a low potential for dermal absorption per se.
The results are reasonable, within the scientifically expected ranges and can therefore be considered as reliable. Hence, the tonnage-driven data requirements under REACH are fully met, no datagaps were identified and no further testing is required.
In general, the logPow is a very important parameter for risk assessment. Especially a negative value like the determined one (logPow = -2.25) allows to draw relevant conclusions, for example poor dermal absorption due to the ionic structure, a not existing potential for accumulation or the impact of the accompanied high water solubility on ecotoxicity testing. These points will be discussed more intensely in the corresponding sections.
In addition, the partition coefficient of pure choline hydroxide was calculated with OPERA Model calculation. The logKow was calculated to be -0.383.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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