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EC number: 403-830-5 | CAS number: 89331-94-2 B 290; BK 400; CK 34; DIBUTYL-N-102; DX-20; FAT NR. 40391/A; FLUORAN BLACK BD 869; FLUORAN SCHWARZ BD 869; NOIR FLUORANE BD 869; ODB-2; PSD-290; SENOR-2; TG-31; TH-108; WINCON-2
- 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:
- 2021-05-18 to 2021-07-21
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- adopted 24 January 2014
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- adopted 27. Jul. 1995
- Deviations:
- yes
- Remarks:
- Consecutive fractions did not show constant concentrations within ± 30%. This was due to outliers, measured for both flow rates, and was probably caused by colloidal dissolved test item in this low concentration range.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- column elution method
- Key result
- Water solubility:
- ca. 1 - <= 2.22 µg/L
- Conc. based on:
- test mat.
- Incubation duration:
- > 50 - <= 70 min
- Temp.:
- 20 °C
- pH:
- >= 6.1 - < 6.9
- Details on results:
- Refer to "Any other information on results incl. tables"
- Conclusions:
- The water solubility of the test item was determined to be
< 1 – 2.22 µg/L at 20 ± 0.5 °C
= < 1 – 2.22 10-6 kg/m3 (SI units)
(range calculated from two flows). - Executive summary:
The solubility of the test item in water was determined by measurement of the test item concentration in the diluted test solutions using LC-MS/MS.
A pre-test to determine the water solubility with column elution was performed. Therefore, two fractions were taken from a column and measured after sample preparation. The solubility pre-test gave a water solubility of 62.26 µg/L.
Accuracy and Precision should be performed with a concentration ≤ 80 % of the value determined in the solubility test with demineralised water, which corresponds to a concentration of 49.8 µg/L. Therefore, the accuracy and precision were performed with a concentration of 40 µg/L (high level) and 4 µg/L (low level).
In the water solubility main test, the column elution method was used. Quartz sand was coated with test item and filled into an empty HPLC column with a very fine mesh from inox on both sides.
A flow rate of 25.2 mL/h was set. After discarding the first 10 column volumes, fractions were taken and measured after sample preparation. For the first 10 samples losses due to sample transfer in the measuring vials was assumed. Therefore, the following samples were collected directly into the measuring vial and measured after sample preparation.
Due to the low solubility of the test item, there are significant deviations between the measured values, but the plateau is considered as reached. The higher values were stated as outliers and were regarded to be produced by colloidal dissolved test item in this low concentration range. Nevertheless, a Tyndall effect (i.e. a laser beam was not scattered when transmitted through the liquid) could not be observed. This may also be due to the low concentration range.
The second run with a flow of approximately 12 mL/hour showed also significant deviations between the measured values, caused by outliers as in flow 1 due to the low solubility of the test item. The test was finished, because in the low concentration range obviously outliers cannot be avoided and because in several fractions of flow 2 the test item concentration lay below 1 µg/L. No Tyndall effect (i.e. a laser beam was not scattered when transmitted through the liquid) could be observed.
As the difference between the measured concentrations of both flow rates lay above 30%, a range is given for the solubility. No further flow rates were examined, because the concentration in flow 2 lay below the concentration of flow 1.
At the plateau, the concentration of the test item in water had reached:
< 1 – 2.22 µg/L at 20 ± 0.5 °C
= < 1 – 2.22 10-6 kg/m3 (SI units)
(range calculated from two flows)
Reference
The analytical determinations are presented in the following tables:
Table 2‑a Measurements at flow rate 25.2 mL/h
Sample | Dilution | Peak | Concentration | Difference to previous sample | pH |
# |
| [counts*min] | [µg/L] | [%] |
|
1 | 2 | 54240
| 2.161 | - | 6.31 |
2* | 10 | 78044
| 14.59 | 576.3 | 6.34 |
3 | 2 | 533 | 2.121 | -85.5 | 6.31 |
4 | 2 | 577 | 2.311 | 9.1 | 6.41 |
5 | 2 | 571 | 2.281 | -1.2 | 6.29 |
6* | 20 | 106202
| 45.15* | 1878.4 | 6.23 |
* The values of samples 2 and 6 (grey italics) were considered as outliers and were not used in the
calculation of the mean value.
1 Evaluated using QC recovery of 91.0 %, see Table 15.2‑g
Table 2‑b Measurements at flow rate 12.4 mL/h
Sample | Dilution | Peak | Concentration | Difference to previous sample | pH |
# |
| [counts*min] | [µg/L] | [%] |
|
1 | 10 | 521 | 11.071 | - | 6.10 |
2 | 10 | 1460 | 6.572 | -39.0 | 6.49 |
347 | 6.951 | ||||
3 | 2 | 0 | <1 | n.c.* | 6.09 |
4 | 2 | 0 | <1 | n.c.* | 6.09 |
5 | 2 | 0 | <1 | n.c.* | 6.22 |
6 | 2 | 0 | <1 | n.c.* | 6.17 |
7 | 2 | 0 | <1 | n.c.* | 6.66 |
8 | 2 | 1048 | 4.603 | n.c. | 6.67 |
9 | 2 | 0 | <1 | n.c.* | 6.88 |
* not calculable, because the measured value lay below the detection limit.
1 Evaluated using QC recovery of 84.9 %, see Table 15.2‑h
2 Evaluated using QC recovery of 85.9 %, see Table 15.2‑h
3 Evaluated using QC recovery of 86.8 %, see Table 15.2‑i; Sample 8 (grey italics) was considered as an outlier and was not used in the calculation of the mean value.
The following table gives the values which were measured for both flow rates at the plateau.
Table 3‑a Plateau
Flow rate
| Sample | Mean | Difference | |||||||||||
[mL/h] | 1 | 2 | 3 | 4 | 5 | 6 |
|
| ||||||
25.2 | 2.16 µg/L | 14.59** µg/L | 2.12 µg/L | 2.31 µg/L | 2.28 µg/L | 45.15** µg/L | 2.2 µg/L | 0.09 | ||||||
Flow rate
| Sample | Mean | Difference | |||||||||||
[mL/h] | 3 | 4 | 5 | 6 | 7 | 8 | 9 |
|
| |||||
12.4 | < 1 µg/L | < 1 µg/L | < 1 µg/L | < 1 µg/L | < 1 µg/L | 4.60** µg/L | < 1 µg/L
| <1 µg/L | n.c.* |
* n.c.= not calculable, because the measured value lay below the detection limit.
** The values (grey italics) were considered as outliers and were not used in the calculation of the mean value.
Description of key information
The water solubility was determined to be < 1 – 2.22 µg/L at 20 ± 0.5 °C. The mean value of 1.61 µg/L is used for the chemical safety assessment.
Key value for chemical safety assessment
- Water solubility:
- 1.61 µg/L
- at the temperature of:
- 20 °C
Additional information
Key
The solubility of the test item in water was determined by measurement of the test item concentration in the diluted test solutions using LC-MS/MS.
A pre-test to determine the water solubility with column elution was performed. Therefore, two fractions were taken from a column and measured after sample preparation. The solubility pre-test gave a water solubility of 62.26 µg/L.
Accuracy and Precision should be performed with a concentration ≤ 80 % of the value determined in the solubility test with demineralised water, which corresponds to a concentration of 49.8 µg/L. Therefore, the accuracy and precision were performed with a concentration of 40 µg/L (high level) and 4 µg/L (low level).
In the water solubility main test, the column elution method was used. Quartz sand was coated with test item and filled into an empty HPLC column with a very fine mesh from inox on both sides.
A flow rate of 25.2 mL/h was set. After discarding the first 10 column volumes, fractions were taken and measured after sample preparation. For the first 10 samples losses due to sample transfer in the measuring vials was assumed. Therefore, the following samples were collected directly into the measuring vial and measured after sample preparation.
Due to the low solubility of the test item, there are significant deviations between the measured values, but the plateau is considered as reached. The higher values were stated as outliers and were regarded to be produced by colloidal dissolved test item in this low concentration range. Nevertheless, a Tyndall effect (i.e. a laser beam was not scattered when transmitted through the liquid) could not be observed. This may also be due to the low concentration range.
The second run with a flow of approximately 12 mL/hour showed also significant deviations between the measured values, caused by outliers as in flow 1 due to the low solubility of the test item. The test was finished, because in the low concentration range obviously outliers cannot be avoided and because in several fractions of flow 2 the test item concentration lay below 1 µg/L. No Tyndall effect (i.e. a laser beam was not scattered when transmitted through the liquid) could be observed.
As the difference between the measured concentrations of both flow rates lay above 30%, a range is given for the solubility. No further flow rates were examined, because the concentration in flow 2 lay below the concentration of flow 1.
At the plateau, the concentration of the test item in water had reached:
< 1 – 2.22 µg/L at 20 ± 0.5 °C= < 1 – 2.22 10-6 kg/m3 (SI units)
(range calculated from two flows)
For the purpose of the risk assessment in the CSR a mean water solubility of 1.61 µg/L was used.
Supporting information
In accordance with Article 25(3) of the REACH Regulation the robust study summaries submitted 12 years previously, are used as supporting information.
A water solubility of 0.021 mg/L at 20 °C (ph 6.12) was determined in a study according to EU method A.6 (Huntingdon, ECHA RSS, 2017). In a supporting study a water solubility of below 0.1 mg/L at 20 °C according to EU method A.6 was determined (Safepharm, ECHA RSS, 2017).
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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