Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: - | CAS number: -
- 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:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2022-01-11 to 2022-04-07
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.4
- Temp.:
- 20 °C
- Remarks on result:
- other: Estimated log Pow < -1.4
- Conclusions:
- Due to the high water solubility of the test item, the octanol/water partition coefficient of the test item is estimated to be: log Pow = < -1.4.
- Executive summary:
In a GLP study conducted according to EU Methods A.6. and A.8. and OECD Test Guidelines 105, 107 and 117 the partition coefficient at ambient temperature of the test item was determined using the shake flask method. The analytical method has been validated according to SANTE/2020/12830.
Due to the test item's high water solubility ( > 5232 g/L), the octanol/water partition oefficient can be estimated to be: Log Pow ≤ -1.4.
Reference
Preliminary test
The preliminary test at room temperature showed, that the octanol solubility of the test item is between 58.7 and 176 g/L. The observations of the preliminary test are summarized in Table 1.
With the value of the water solubility estimated from the water solubility study (> 5232 g/L) and the estimated solubility in octanol from this preliminary test of 58.7 – 176 g/L, the partition coefficient was estimated to be between -2.0 and -1.5. For this range the partition coefficient can be calculated from the solubilities in both solvents. Thus, the flask method is used for the determination of the octanol solubility.
Table 1: Results of the preliminary test for the octanol solubility
Amount of test item [g] |
Total volume of added octanol [mL] |
Stirring time at RT [h:min] |
Remark |
6.08 |
5 |
0:45 |
Not dissolved |
0.88 |
5 |
1:05 |
Not dissolved |
15 |
16:10 |
Dissolved |
Main test (flask method)
For the main test three flasks were prepared with an amount of test item and 1-octanol, and one flask only with 1-octanol (4a, blank). After stirring and centrifugation the clear octanol phases were measured by means of UV/Vis spectrometry. The solution of each flask has been measured once. The results of these measurements are shown in Table 2. The values represented in the table are rounded values. The calculation was carried out with the original not rounded values.
Table 2: Results of the flask method
Flask |
1a |
2a |
3a |
4a |
Measured value [mg/L] |
20.9 |
19.1 |
21.8 |
0.00 |
Aliquot of the flask [mL] |
0.1 |
0.1 |
0.1 |
0.1 |
Total volume after 1st dilution [mL] |
50 |
50 |
50 |
50 |
Aliquot of the 1st dilution [mL] |
0.15 |
0.15 |
0.15 |
0.15 |
Total volume after 2nd dilution [mL] |
3 |
3 |
3 |
3 |
Octanol solubility [g/L] |
209.1 |
190.5 |
218.2 |
0 |
Mean value of octanol solubility [g/L] |
206.0 |
0 |
||
Standard deviation [g/L] |
14.1 |
- |
||
Relative standard deviation [%] |
6.9 |
- |
To verify the accuracy of the analytical method two freshly prepared standard solutions (prepared with the test item) were measured in between the samples of the flask method. The recovery rate of the measured standard solutions was in the range from 97.0 % to 98.7 %, which shows a good accuracy of the analytical method.
The water solubility of the test item was estimated in the water solubility study to be > 5232 g/L. Thus, the partition coefficient of the test item is estimated to be log Pow < -1.4.
Description of key information
In a GLP study conducted according to EU Methods A.6. and A.8. and OECD Test Guidelines 105, 107 and 117 the partition coefficient at ambient temperature of the test item was determined using the shake flask method. The analytical method has been validated according to SANTE/2020/12830.
Due to the test item's high water solubility ( > 5232 g/L), the octanol/water partition oefficient can be estimated to be: Log Pow ≤ -1.4.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.4
- at the temperature of:
- 20 °C
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.