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EC number: 235-741-0 | CAS number: 12645-31-7
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:
- Testing was conducted between 19 May 2011 and 06 August 2011.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- The determination was carried out using the flask method designed to be compatible with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Remarks:
- The determination was carried out using the flask method designed to be compatible with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
- Water solubility:
- 13.2 g/L
- Temp.:
- 20 °C
- pH:
- 2 - 2.3
- Remarks on result:
- other: For 2-ethylhexyl dihydrogen phosphate
- Water solubility:
- 0.006 g/L
- Temp.:
- 20 °C
- pH:
- 2 - 2.3
- Remarks on result:
- other: For bis(2-ethylhexyl) hydrogen phosphate.
- Details on results:
- Please see section Remarks on results including tables and figures.
- Conclusions:
- Interpretation of results (migrated information): other: The water solubility of the test item has been determined to be 13.2 g/l at 20.0 ± 0.5ºC for 2-ethylhexyl dihydrogen phosphate and 5.95 x 10-3 g/l at 20.0 ± 0.5ºC for bis(2-ethylhexyl) hydrogen phosphate.The water solubility of the test item has been determined to be 13.2 g/l at 20.0 ± 0.5ºC for 2-ethylhexyl dihydrogen phosphate and 5.95 x 10-3 g/l at 20.0 ± 0.5ºC for bis(2-ethylhexyl) hydrogen phosphate.
- Executive summary:
Method
The determination was carried out using the flask method designed to be compatible with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
Conclusion
The water solubility of the test item has been determined to be 13.2 g/l at 20.0 ± 0.5ºC for 2-ethylhexyl dihydrogen phosphate and 5.95 x 10-3 g/l at 20.0 ± 0.5ºC for bis(2-ethylhexyl) hydrogen phosphate.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: non GLP study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- flask method
- Water solubility:
- 3.1 g/L
- Temp.:
- 20 °C
- pH:
- 1.7
- Remarks on result:
- other: Equilibration time 24 h
- Water solubility:
- 4.1 g/L
- Temp.:
- 20 °C
- pH:
- 1.7
- Remarks on result:
- other: Equilibration time 48 h
- Water solubility:
- 3.8 g/L
- Temp.:
- 20 °C
- pH:
- 1.7
- Remarks on result:
- other: Equilibration time 72 h
- Water solubility:
- 3.7 g/L
- Remarks on result:
- other: mean value
- Details on results:
- The water solubility of this substance is 3.7 g/L (mean value) at 20°C. Only monoester is detected in aqueous solution.
- Conclusions:
- Interpretation of results (migrated information): soluble (1000-10000 mg/L)Water solubility (20 °C): 3.7 g/L determined according to OECD 105.
- Executive summary:
The water solubility of the test substance was determined according to the OECD Guideline for the Testing of Chemicals 105.
Result: Water solubility (20 °C): 3.7 g/L
Remark: Only monoester is detected in aqueous solution.
Referenceopen allclose all
Results
Preliminary test
The preliminary estimate of water solubility was as follows:
2-ethylhexyl dihydrogen phosphate: 7.01 g/l
bis(2-ethylhexyl) hydrogen phosphate: 1.81 x 10-3g/l
Definitive test
The mean peak areas relating to the 2-ethylhexyl dihydrogen phosphate component in the standard solutions and sample solutions are shown in the following table:
Table 9.3– 2-ethylhexyl dihydrogen phosphate
Solution | Mean Peak Area |
Standard 507 mg/l | 9.652 x 104 |
Standard 514 mg/l | 9.882 x 104 |
Matrix blank | none detected |
Sample 1A | 1.337 x 105 |
Sample 1B | 1.367 x 105 |
Sample 2A | 1.340 x 105 |
Sample 2B | 1.350 x 105 |
Sample 3A | 1.393 x 105 |
Sample 3B | 1.356 x 105 |
Standard 507 mg/l | 1.065 x 105 |
Standard 514 mg/l | 1.096 x 105 |
Sample 4A | 1.379 x 105 |
Sample 4B | 1.388 x 105 |
Sample 5A | 1.283 x 105 |
Sample 5B | 1.299 x 105 |
Sample 6A | 8.419 x 104 |
Sample 6B | 8.312 x 104 |
Sample 7A | 1.377 x 105 |
Sample 7B | 1.491 x 105 |
Sample 8A | 1.660 x 105 |
Sample 8B | 1.677 x 105 |
The mean peak areas relating to the bis(2-ethylhexyl) hydrogen phosphate component in the standard and sample solutions are shown in the following table:
Table 9.4– bis(2-ethylhexyl) hydrogen phosphate
Solution | Mean Peak Area |
Standard 5.07 mg/l | 1.655x 104 |
Standard 5.14 mg/l | 1.721 x 104 |
Matrix blank | none detected |
Sample 1C | 4.899 x 103 |
Sample 1D | 5.467 x 103 |
Sample 2C | 3.661 x 103 |
Sample 2D | 3.558 x 103 |
Sample 3C | none detected |
Sample 3D | none detected |
Standard 5.07 mg/l | 1.497 x 104 |
Standard 5.14 mg/l | 1.575 x 104 |
Sample 4C | none detected |
Sample 4D | none detected |
Sample 5C | none detected |
Sample 5D | none detected |
Sample 6C | 4.774 x 103 |
Sample 6D | 4.463 x 103 |
Sample 7C | none detected |
Sample 7D | none detected |
Sample 8C | 2.333 x 104 |
Sample 8D | 2.289 x 104 |
The mean peak areas relating to the 2-ethylhexyl dihydrogen phosphate component in the standard and sample solutions are shown in the following table:
Table 9.5– 2-ethylhexyl dihydrogen phosphate
Solution | Mean Peak Area |
Standard 501 mg/l | 3.703 x 106 |
Standard 501 mg/l | 3.718 x 106 |
Matrix blank | none detected |
Sample 9A | 4.675 x 106 |
Sample 9B | 4.609 x 106 |
Sample 10A | 4.497 x 106 |
Sample 10B | 4.588 x 106 |
Sample 11A | 4.610 x 106 |
Sample 11B | 4.570 x 106 |
Sample 12A | 4.514 x 106 |
Sample 12B | 4.498 x 106 |
Sample 13A | 4.413 x 106 |
Sample 13B | 4.320 x 106 |
The mean peak areas relating to the bis(2-ethylhexyl) hydrogen phosphate component in the standard and sample solutions are shown in the following table:
Table 9.6– bis(2-ethylhexyl) hydrogen phosphate
Solution | Mean Peak Area |
Standard 5.01 mg/l | 3.682 x 105 |
Standard 5.01 mg/l | 2.780 x 105 |
Matrix blank | none detected |
Sample 9C | 1.255 x 105 |
Sample 9D | 1.330 x 105 |
Sample 10C | 1.271 x 105 |
Sample 10D | 1.246 x 105 |
Sample 11C | 1.704 x 105 |
Sample 11D | 1.651 x 105 |
Sample 12C | 2.860 x 105 |
Sample 12D | 2.849 x 105 |
Sample 13C | 2.382 x 105 |
Sample 13D | 2.672 x 105 |
The concentration (g/l) of the 2-ethylhexyl dihydrogen phosphate and bis(2-ethylhexyl) hydrogen phosphate components of the test item in the sample solutions is shown in the following table:
Table 9.7
Sample Number | Nominal Loading Rate g/l | Time Shaken at ~ 30ºC (hours) | Time Equilibrated at 20ºC (hours) | Concentration 2-ethylhexyl dihydrogen phosphate(g/l) | Concentration bis(2-ethylhexyl) hydrogen phosphate(g/l) | Solution pH |
1 | 100 | 72 | 24 | 14.1 | 3.13 x 10-3 | 2.1 |
2 | 100 | 48 | 24 | 14.1 | 2.19 x 10-3 | 2.1 |
3 | 100 | 24 | 24 | 14.4 | ND | 2.1 |
4 | 50 | 24 | 24 | 13.1 | ND | 2.2 |
5 | 25 | 24 | 24 | 12.2 | ND | 2.3 |
6 | 10 | 24 | 24 | 7.9* | 3.07 x 10-3 | 2.3 |
7 | 100 | 3 | 24 | 13.5 | ND | 2.1 |
8 | 100 | 3 | 3 | 15.8 | 1.54 x 10-2 | 2.1 |
9 | 100 | 3 | 72 | 12.5 | 4.01 x 10-3 | 2.0 |
10 | 100 | 3 | 48 | 12.3 | 3.90 x 10-3 | 2.0 |
11 | 100 | 3 | 24 | 12.4 | 5.20 x 10-3 | 2.0 |
12 | 100 | 3 | 3 | 12.2 | 8.85 x 10-3 | 2.0 |
13 | 100 | 3 | 1 | 11.8 | 7.84 x 10-3 | 2.0 |
ND = none detected
*Value not included in the overall result, since the loading rate was below the saturated solution concentrations observed at the higher loading rates.
The mean concentration (g/l) and concentration range (g/l) of each component are shown in the following table:
Table 9.8
Component | Concentration Range (g/l) | Mean Concentration g/l) |
2-ethylhexyl dihydrogen phosphate | 11.8 to 15.8 | 13.2 |
bis(2-ethylhexyl) hydrogen phosphate | 2.19 x 10-3to 1.54 x 10-2 | 5.95 x 10-3 |
Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration ranges of 0 to 1000 mg/l for the 2-ethylhexyl dihydrogen phosphate and 0 to 50 mg/l for the bis(2-ethylhexyl) hydrogen phosphate and was satisfactory with correlation coefficients of 0.999 and 1.000 respectively.
Validation of the sample procedure was performed by comparison of filtered and unfiltered samples at concentrations of 100 mg/l for the 2-ethylhexyl dihydrogen phosphate and 5 mg/l for the bis(2-ethylhexyl) hydrogen phosphate. This was acceptable with a mean percentage of determined analyte being 92.3% for the 2-ethylhexyl dihydrogen phosphate and 110% for the bis(2-ethylhexyl) hydrogen phosphate.
preliminary test:
| ml of water for 0,1 g soluble | 0,1 | 0,5 | 1 | 2 | 10 | 100 | 150 |
| approx. solubility in g/l | >1000 | 1000 to 200 | 200 to 100 | 100 to 50 | 50 to 10 | 10 to 1 | <1 |
| visual evaluation | not soluble | not soluble | not soluble | not soluble | not soluble | not soluble | not soluble |
Solubility test with HPLC:
| Flask No. | Equilibration time at 20 °C [h] | pH of aqueous solution | Test substance content [g/l] |
| 1 | 24 | 1.7 | 3.1 |
| 2 | 48 | 1.7 | 4.1 |
| 3 | 72 | 1.7 | 3.8 |
| mean | — | — | 3.7 |
Only monoester is detected in aqueous solution.
Description of key information
Water solubility = 5.95 mg/L (20°C); Butler & White (2011); EU Method A.6.
Water solubility = 3.7 g/L (20°C); Hirschen (2011); OECD 105
Key value for chemical safety assessment
- Water solubility:
- 0.006 mg/L
- at the temperature of:
- 20 °C
Additional information
The overall endpoint determination was carried out using the flask method designed to be compatible with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
The water solubility of the test item has been determined to be 13.2 g/l at 20.0 ± 0.5ºC for 2-ethylhexyl dihydrogen phosphate and 5.95 x 10-3 g/l at 20.0 ± 0.5ºC for bis(2-ethylhexyl) hydrogen phosphate.
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