Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
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: 253-604-3 | CAS number: 37673-37-3
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:
- From January 07, 2015 to March 20, 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- not specified
- Type of method:
- column elution method
- Specific details on test material used for the study:
- Batch no.: 192955/01
Appearance: liquid - Key result
- Water solubility:
- >= 0.009 - <= 0.014 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 57.2 other: mg test substance
- Temp.:
- 20 °C
- pH:
- 6.3
- Remarks on result:
- other: first experiment: flow of 25.0 mL/h
- Key result
- Water solubility:
- 0.002 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 51.3 other: mg test substance
- Temp.:
- 20 °C
- pH:
- 6.3
- Remarks on result:
- other: second experiment: flow of 12.5 mL/h
- Details on results:
- - At a flow rate of 25 mL/h, the solubilities determined in fractions 7 and 8 were clearly identified as outlier. According to OECD Guideline 105, values from at least five consecutive runs should be taken for evaluation. Therefore, the solubilities determined for fractions 7 and 8 were eliminated. Thus, these values were also eliminated for a flow rate of 12.5 mL/h.
- The remaining values led to a solubility in the range of 9.0 - 14.0 µg/L (mean value 11.5 µg/L) at a flow rate of 25.0 mL/h and to a solubility of 2.0 µg/L at a flow rate of 12.5 mL/h. The overall mean value was 6.8 µg/L. Contrary to the requirements of OECD Guideline 105, the determined concentrations differed more than 30%. This is, however, due to the very low concentration of the test substance. Therefore, a larger difference is also considered acceptable.
The water solubility of the test substance = 2.0 - 14.0 µg/L (formal mean value 6.7 µg/L) at 20°C and pH value of 6.3.
Working range
The calibration curve fits over the working range from 0.6 to 140.8 µg/L (related to 20 mL of water) with r2 = 0.999. A linear fit was used.
Recovery
In the course of the recovery experiment, an average recovery rate of 111% was determined. - Conclusions:
- Under the study conditions, the water solubility of the test substance was determined to be in the range of 2.0E-03 to 1.4E-02 mg/L at 20°C (mean value 6.7E-3 mg/L).
- Executive summary:
A study was conducted to determine the water solubility of the test substance according to OECD Guideline 105. In the preliminary test, the water solubility of the test substance was 10-2 g/L. Therefore, the column elution method was chosen for the main study. A total of 16 aliquots were analyzed by GC-MS at flow rates of 25.0 and 12.5 mL/h. The amounts of test substance used for the first and the second experiment were 57.2 and 51.3 mg, respectively. At a flow rate of 25 mL/h the vwater solubility values were in the range of 9.0E-03 to 1.4E-02 mg/L and at a flow rate of 12.5 mL/h the value was 2.0E-03 mg/L.The overall mean value was 6.7E-03 mg/L. Under the study conditions, the water solubility of the test substance was determined to be in the range of 2.0E-03 - 1.4E-02 mg/L (mean value 6.7E-03 mg/L) at 20°C (Seiler, 2015).
Reference
Table 1: Quantitative determination of the analytes
Flow rate (mL/h) |
Fraction No. |
Volume of combined fractions (mL) |
IS [µg/L] |
Solubility of test substance [µg/L] |
25.0 |
1 (1-2) |
20 |
2.10 |
12.5 |
2 (3-4) |
20 |
2.10 |
13.5 |
|
3 (5-6) |
20 |
2.10 |
14.0 |
|
4 (7-8) |
20 |
2.10 |
9.0 |
|
5 (9-10) |
20 |
2.10 |
9.5 |
|
6(11-12) |
20 |
2.10 |
10.5 |
|
7 (13-14) |
20 |
2.10 |
<0.5 |
|
8 (15-16) |
20 |
2.10 |
2.0 |
|
|
|
|
|
|
12.5 |
1 (1-2) |
20 |
2.10 |
2.0 |
2 (3-4) |
20 |
2.10 |
2.0 |
|
3 (5-6) |
20 |
2.10 |
2.0 |
|
4 (7-8) |
20 |
2.10 |
2.0 |
|
5(9-10) |
20 |
2.10 |
2.0 |
|
6(11-12) |
20 |
2.10 |
2.0 |
|
7 (13-14) |
20 |
2.10 |
2.0 |
|
8 (15-16) |
20 |
2.10 |
2.0 |
Description of key information
The water solubility was determined according to OECD Guideline 105 (Seiler, 2015)
Key value for chemical safety assessment
- Water solubility:
- 0.007 mg/L
- at the temperature of:
- 20 °C
Additional information
Water solubility range: 2.0E-03 to 1.4E-02 mg/L (mean value 6.7E-03 mg/L)
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.
