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EC number: 947-129-7 | CAS number: -
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental starting date: 28 April 2016 Experimental completion date: 20 April 2017
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
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
- Type of method:
- flask method
Test material
- Reference substance name:
- Amines, C16-18-(even numbered, saturated and unsaturated) alkyl, O,O-di-Bu phosphorothioates
- Molecular formula:
- Not applicable - UVCB
- IUPAC Name:
- Amines, C16-18-(even numbered, saturated and unsaturated) alkyl, O,O-di-Bu phosphorothioates
- Reference substance name:
- C16-18-(even numbered, saturated and unsaturated)-alkylamines
- EC Number:
- 627-034-4
- Cas Number:
- 1213789-63-9
- Molecular formula:
- R-NH2 R = alkyl mainly C16-18-(even numbered, saturated and unsaturated)-alkyl
- IUPAC Name:
- C16-18-(even numbered, saturated and unsaturated)-alkylamines
- Test material form:
- liquid
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- Information as provided by the Sponsor. The Certificate of Analysis provided by the Sponsor is presented as Annex 1 (Please see Attachment Section of this Summary).
Identification: X-19574
Appearance/Physical state:Amber colored viscous liquid
Batch: X-19574-00-00
Purity: 100% (UVCB)
Expiry date: 01 June 2017
Storage conditions: Room temperature, in the dark
Results and discussion
Water solubilityopen allclose all
- Key result
- Water solubility:
- 0.021 g/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 10 g/L
- Incubation duration:
- 72 h
- Temp.:
- 20 °C
- pH:
- 6.3
- Key result
- Water solubility:
- 0.015 g/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 1 g/L
- Incubation duration:
- 72 h
- Temp.:
- 20 °C
- pH:
- 6.3
Any other information on results incl. tables
Results
Preliminary Test
The preliminary estimate of water solubility was as follows:
Dibutylphosphorothioate: 2.08x 10-2g/L at 20.0 °C
C16 – C18 alkyl amines: 1.78 x 10-2g/L at 20.0 °C.
Main Test
The mean peak areas relating to the standard and sample solutions are shown in the following tables:
Dibutylphosphorothioate
Solution |
Mean peak area |
Standard 5.26 mg/L |
2.200 x 106 |
Standard 10.5 mg/L |
4.231 x 106 |
Standard 21.0 mg/L |
8.489 x 106 |
Standard 20.8 mg/L |
8.577 x 106 |
Standard 52.6 mg/L |
1.855 x 107 |
Standard 78.9 mg/L |
2.551 x 107 |
Standard 105 mg/L |
3.147 x 107 |
Standard 21.0 mg/L |
9.985 x 106 |
Standard 20.8 mg/L |
1.006 x 107 |
Sample 1A |
8.12 x 106 |
Sample 1B |
8.47 x 106 |
Sample 2A |
5.23 x 106 |
Sample 2B |
5.07 x 106 |
Sample 3A |
8.50 x 106 |
Sample 3B |
8.65 x 106 |
Sample 4A |
6.63 x 106 |
Sample 4B |
6.73 x 106 |
Sample 5A |
9.82 x 106 |
Sample 5B |
9.52 x 106 |
Sample 6A |
5.91 x 106 |
Sample 6B |
5.74 x 106 |
C16 – C18 alkyl amines
Solution |
Mean peak area |
Standard 0.115 mg/L |
4.700 x 105 |
Standard 0.574 mg/L |
2.344 x 106 |
Standard 1.15 mg/L |
4.475 x 106 |
Standard 2.30 mg/L |
7.886 x 106 |
Standard 2.10 mg/L |
7.501 x 106 |
Standard 5.74 mg/L |
1.844 x 107 |
Standard 8.61 mg/L |
2.748 x 107 |
Standard 11.5 mg/L |
3.813 x 107 |
Standard 2.30 mg/L |
8.411 x 106 |
Standard 2.10 mg/L |
8.149 x 106 |
Sample 1A |
3.92 x 106 |
Sample 1B |
2.31 x 106 |
Sample 2A |
8.60 x 106 |
Sample 2B |
6.86 x 106 |
Sample 3A |
2.01 x 106 |
Sample 3B |
3.21 x 106 |
Sample 4A |
9.83 x 106 |
Sample 4B |
1.54 x 107 |
Sample 5A |
3.47 x 106 |
Sample 5B |
3.50 x 106 |
Sample 6A |
6.86 x 106 |
Sample 6B |
5.96 x 106 |
The concentration (mg/L) of test item in the sample solutions is shown in the following tables:
Dibutylphosphorothioate
Sample number |
Loading rate (g/L) |
Time shaken at ~ 30 ºC (hours) |
Time equilibrated at 20 ºC (hours) |
Concentration (mg/L) |
Solution pH |
||
A |
B |
Mean |
|||||
1 |
10 |
24 |
24 |
18.0 |
18.9 |
18.5 |
6.3 |
2 |
1 |
24 |
24 |
10.8 |
10.4 |
10.6 |
6.3 |
3 |
10 |
48 |
24 |
19.0 |
19.4 |
19.2 |
6.2 |
4 |
1 |
48 |
24 |
14.2 |
14.5 |
14.4 |
6.4 |
5 |
10 |
72 |
24 |
22.4 |
21.6 |
22.0 |
6.4 |
6 |
1 |
72 |
24 |
12.4 |
12.2 |
12.3 |
6.3 |
Mean concentrations:
Loading rate 10 g/L: 19.9 mg/L
Loading rate 1 g/L: 12.4 mg/L
C16 – C18 alkyl amines
Sample number |
Loading rate (g/L) |
Time shaken at ~ 30 ºC (hours) |
Time equilibrated at 20 ºC (hours) |
Concentration (mg/L) |
Solution pH |
||||||||||
A |
B |
Mean |
|||||||||||||
1 |
10 |
24 |
24 |
1.13 |
0.539 |
0.833 |
6.3 |
||||||||
2 |
1 |
24 |
24 |
2.82 |
2.20 |
2.51 |
6.3 |
||||||||
3 |
10 |
48 |
24 |
0.426 |
0.868 |
0.647 |
6.2 |
||||||||
4 |
1 |
48 |
24 |
3.31 |
5.23 |
4.27 |
6.4 |
||||||||
5 |
10 |
72 |
24 |
0.962 |
1.05 |
1.00 |
6.4 |
||||||||
6 |
1 |
72 |
24 |
2.20 |
1.87 |
2.03 |
6.3 |
||||||||
Mean concentrations:
Loading rate 10 g/L: 0.828 mg/L
Loading rate 1 g/L: 2.94 mg/L
Total Test Item
The water solubility in terms of total test item (dibutylphosphorothioateandC16 - C18 alkyl amines) for loading rates 10 and 1 g/L are shown below:
Loading rate 10 g/L: 20.7 mg/L (2.07 x 10-2g/L)
Loading rate 1 g/L: 15.4 mg/L (1.54 x 10-2g/L)
Total organic carbon analysis results are shown in the following table:
Total Organic Carbon
Sample number |
Loading rate (g/L) |
Time shaken at ~ 30 ºC (hours) |
Time equilibrated at 20 ºC (hours) |
TOC concentration (mg/L) |
|||||
1 |
10 |
24 |
24 |
58.4 |
|||||
2 |
1 |
24 |
24 |
16.3 |
|||||
3 |
10 |
48 |
24 |
57.3 |
|||||
4 |
1 |
48 |
24 |
18.4 |
|||||
5 |
10 |
72 |
24 |
64.5 |
|||||
6 |
1 |
72 |
24 |
16.7 |
Mean TOC concentrations:
Loading rate 10 g/L: 60.1 mg/L TOC, 100 mg/L as total
test item
Loading rate 1 g/L: 17.1 mg/L TOC, 28.5 mg/L as total test
item
Applicant's summary and conclusion
- Conclusions:
- Conclusion
The water solubility of the test item has been determined to be as follows:
Test item loading rate (g/L) Mean water solubility, Total test item
(g/L at 20 °C)
10 2.07 x 10-2
1 1.54 x 10-2 - Executive summary:
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.
The test system consisted of purified water with a resistivity of greater than 15 MΩ.
Conclusion
The water solubility of the test item has been determined to be as follows:
Test item loading rate
(g/L)Mean water solubility, Total test item
(g/L at 20 °C)10
2.07 x 10-2
1
1.54 x 10-2
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