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EC number: 269-119-5 | CAS number: 68187-67-7
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- The study was conducted between 03 September 2014 and 09 June 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- GLP guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- Amines, C12-14-tert-alkyl, isooctyl mono phosphates
- IUPAC Name:
- Amines, C12-14-tert-alkyl, isooctyl mono phosphates
- Reference substance name:
- Unknown, including minor amounts of diphosphate species, water. Possibly residual unreacted starting material and unknown byproducts.
- IUPAC Name:
- Unknown, including minor amounts of diphosphate species, water. Possibly residual unreacted starting material and unknown byproducts.
- Test material form:
- liquid: viscous
Constituent 1
Constituent 2
Results and discussion
Water solubilityopen allclose all
- Key result
- Water solubility:
- 0.375 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: For the C12-14 alkylamine species (as test item equivalent)
- Key result
- Water solubility:
- 0.439 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: For the isooctyl phosphate species (as test item equivalent)
- Details on results:
- Positive mode MS run:
Mean concentration: 0.375 g/L
Range: 0.364 to 0.386 g/L
Standard Deviation: 0.011 g/L
RSD: 2.93%
Negative mode MS run:
Mean concentration: 0.439 g/L
Range: 0.433 to 0.445 g/L
Standard Deviation: 0.006 g/L
RSD: 1.37%
Any other information on results incl. tables
Positive mode MS run
The mean total peak areas relating to the standard and sample solutions are shown in the following table:
Solution |
Mean Total PeakArea |
Standard 10.6 mg/L |
4.45 x 104 |
Standard 26.5 mg/L |
7.17 x 104 |
Standard 53.0 mg/L |
1.03 x 105 |
Standard 106 mg/L |
1.50 x 105 |
Standard 159 mg/L |
1.80 x 105 |
Standard 265 mg/L |
2.35 x 105 |
Standard 105 mg/L |
1.34 x 105 |
Sample 1A |
8.42 x 104 |
Sample 1B |
8.07 x 104 |
Sample 2A |
8.06 x 104 |
Sample 2B |
8.19 x 104 |
Sample 3A |
7.95 x 104 |
Sample 3B |
8.05 x 104 |
The concentration (g/L) of test item in the sample solutions is shown in the following table:
Sample Number |
Time Shaken at ~ 30 ºC (hours) |
Time Equilibrated at 20 ºC (hours) |
Concentration (g/L) |
Solution pH |
1 |
24 |
24 |
0.386 |
6.0 |
2 |
48 |
24 |
0.375 |
6.0 |
3 |
72 |
24 |
0.364 |
6.1 |
Mean concentration: 0.375 g/L
Range: 0.364 to 0.386 g/L
Standard Deviation: 0.011 g/L
The mean total peak areas relating to the standard and sample solutions are shown in the following table:
Solution |
Mean Total Peak Area |
Standard 9.83 mg/L |
1.05 x 105 |
Standard 24.6 mg/L |
2.44 x 105 |
Standard 49.2 mg/L |
4.27 x 105 |
Standard 98.3 mg/L |
9.15 x 105 |
Standard 148 mg/L |
1.40 x 106 |
Standard 246 mg/L |
2.42 x 106 |
Standard 105 mg/L |
9.20 x 105 |
Sample 1A |
2.13 x 106 |
Sample 1B |
2.13 x 106 |
Sample 2A |
2.10 x 106 |
Sample 2B |
2.10 x 106 |
Sample 3A |
2.15 x 106 |
Sample 3B |
2.17 x 106 |
The concentration (g/L) of test item in the sample solutions is shown in the following table:
Sample Number |
Time Shaken at ~ 30 ºC (hours) |
Time Equilibrated at 20 ºC (hours) |
Concentration (g/L) |
Solution pH |
1 |
24 |
24 |
0.440 |
6.0 |
2 |
48 |
24 |
0.433 |
6.0 |
3 |
72 |
24 |
0.445 |
6.1 |
Mean concentration: 0.439 g/L
Range: 0.433 to 0.445 g/L
Standard Deviation: 0.006 g/L
RSD: 1.37%
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results: moderately soluble (100-1000 mg/L)
The water solubility of the test item has been determined to be 0.375 g/L of solution at 20.0 ± 0.5 °C (with respect to the C12-14 alkylamine species) and 0.439 g/L of solution at 20.0 ± 0.5 °C (with respect to the isooctyl phosphate species) (as test item equivalents). - Executive summary:
The water solubility of the test item was 0.375 g/L of solution at 20.0 ± 0.5 °C (with respect to the C12-14 alkylamine species) and 0.439 g/L of solution at 20.0 ± 0.5 °C (with respect to the isooctyl phosphate species) (as test item equivalents), 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.
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