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EC number: - | CAS number: -
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental start date: 19 August 2015 Experimental completion date: 24 December 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- The determination was carried out using the shake-flask method, designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- other: The concentration of test item in the sample solutions was determined by high performance liquid chromatography – mass spectrometry (HPLC-MS).
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.792
- Temp.:
- 20 °C
- pH:
- 4.6
- Remarks on result:
- other: Monoalkyl phosphate
- Remarks:
- Result for Monoalkyl phosphate
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.988
- Temp.:
- 20 °C
- pH:
- 4.6
- Remarks on result:
- other: Monoalkyl phosphate
- Remarks:
- Result for Monoalkyl phosphate
- Key result
- Type:
- Pow
- Partition coefficient:
- 5.91
- Temp.:
- 20 °C
- pH:
- 4.6
- Remarks on result:
- other: Dialkyl pyrophosphate
- Remarks:
- Result for Dialkyl pyrophosphate
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.771
- Temp.:
- 20 °C
- pH:
- 4.6
- Remarks on result:
- other: Dialkyl pyrophosphate
- Remarks:
- Result for Dialkyl pyrophosphate
- Key result
- Type:
- Pow
- Partition coefficient:
- 74.1
- Temp.:
- 20 °C
- pH:
- 4.6
- Remarks on result:
- other: Dialkyl phosphate
- Remarks:
- Result for Dialkyl phosphate
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.87
- Temp.:
- 20 °C
- pH:
- 4.6
- Remarks on result:
- other: Dialkyl phosphate
- Remarks:
- Results for Dialkyl phosphate
- Key result
- Type:
- Pow
- Partition coefficient:
- 483
- Temp.:
- 20 °C
- pH:
- 4.6
- Remarks on result:
- other: Trialkly pyrophosphate
- Remarks:
- Fesult for Trialkly pyrophosphate
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.68
- Temp.:
- 20 °C
- pH:
- 4.6
- Remarks on result:
- other: Trialkly pyrophosphate
- Remarks:
- Result for Trialkly pyrophosphate
- Details on results:
- Please see below
- Conclusions:
- The partition coefficient of the test item has been determined at 23.5 ± 0.5 °C and the results are as follows:
Table 25
Component of Test Item Pow Log10 Pow
Monoalkyl phosphate 0.797 -9.88 x 10-2
Dialkyl pyrophosphate 5.91 0.771
Dialkyl phosphate 74.1 1.87
Trialkly pyrophosphate 483 2.68 - Executive summary:
Partition Coefficient (n-octanol/water). The partition coefficient was determined at
23.5 ± 0.5 °C using the shake-flask method, designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. The results are as follows:
Table 2
Component of Test Item
Pow
Log10Pow
Monoalkyl phosphate
0.797
-9.88 x 10-2
Dialkyl pyrophosphate
5.91
0.771
Dialkyl phosphate
74.1
1.87
Trialkly pyrophosphate
483
2.68
Reference
Preliminary estimate
The preliminary estimates of partition coefficient at 20.0 ± 0.5 °C for the four components are shown in the table below. The aqueous phase had a pH of 4.6.
Table 13
Peak |
Component of Test Item |
Pow |
Log10Pow |
1 |
Monoalkyl phosphate |
-1.21 x 10-2 |
0.973 |
2 |
Dialkyl pyrophosphate |
7.37 |
0.867 |
3 |
Dialkyl phosphate |
105 |
2.02 |
4 |
Trialkly pyrophosphate |
>941 |
>2.97 |
There was no discernible peak for Peak 4, so a limit value was calculated based on the lowest calibration standard used.
Definitive test
Typical chromatography is presented in the attached Appendix 2. The mean peak areas relating to the standard and sample solutions are shown in the following tables:
Table 14 – Aqueous Phase
Solution |
Mean Peak Area |
|||
Peak 1 |
Peak 2 |
Peak 3 |
Peak 4 |
|
Standard 0.53 mg/L |
5.719 x103 |
5.441 x104 |
4.504 x104 |
1.493 x104 |
Standard 2.65 mg/L |
1.997 x104 |
1.481 x105 |
2.285 x105 |
5.745 x104 |
Standard 5.11 mg/L |
3.297 x104 |
2.546 x105 |
3.859 x105 |
1.476 x105 |
Standard 7.94 mg/L |
5.539 x104 |
4.248 x105 |
5.862 x105 |
2.621 x105 |
Standard 10.6 mg/L |
7.900 x104 |
6.302 x105 |
9.584 x105 |
3.915 x105 |
Standard 21.2 mg/L |
1.828 x105 |
1.268 x106 |
1.919 x106 |
7.962 x105 |
Standard 31.8 mg/L |
2.975 x105 |
1.896 x106 |
2.613 x106 |
1.131 x106 |
Sample 1 |
1.761 x105 |
3.145 x105 |
5.313 x105 |
1.223 x103 |
Sample 2 |
1.657 x105 |
3.011 x105 |
5.340 x105 |
1.495 x103 |
Sample 3 |
1.004 x105 |
2.699 x105 |
5.578 x105 |
2.101 x103 |
Sample 4 |
9.565 x104 |
2.673 x105 |
5.824 x105 |
1.940 x103 |
Sample 5 |
5.118 x104 |
1.991 x105 |
5.409 x105 |
2.857 x103 |
Sample 6 |
5.611 x104 |
2.596 x105 |
7.223 x105 |
1.456 x103 |
Table 15 – Organic Phase
Solution |
Mean Peak Area |
|||
Peak 1 |
Peak 2 |
Peak 3 |
Peak 4 |
|
Standard 5.30 mg/L |
3.698 x104 |
2.932 x105 |
5.779 x105 |
1.299 x105 |
Standard 10.6 mg/L |
5.341 x104 |
6.080 x105 |
1.155 x106 |
3.087 x105 |
Standard 21.2 mg/L |
1.455 x105 |
1.235 x106 |
2.046 x106 |
7.494 x105 |
Standard 25.6 mg/L |
2.226 x105 |
1.514 x106 |
2.469 x106 |
9.273 x105 |
Standard 31.8 mg/L |
2.091 x105 |
1.824 x106 |
3.018 x106 |
1.196 x106 |
Standard 42.4 mg/L |
3.312 x105 |
2.397 x106 |
3.904 x106 |
1.509 x106 |
Standard 53.0 mg/L |
5.156 x105 |
3.030 x106 |
4.743 x106 |
1.900 x106 |
Sample 1 |
1.192 x105 |
1.979 x106 |
3.681 x106 |
1.398 x106 |
Sample 2 |
1.249 x105 |
2.004 x106 |
3.712 x106 |
1.367 x106 |
Sample 3 |
6.860 x104 |
1.720 x106 |
3.640 x106 |
1.363 x106 |
Sample 4 |
7.297 x104 |
1.679 x106 |
3.613 x106 |
1.373 x106 |
Sample 5 |
4.089 x104 |
1.348 x106 |
3.587 x106 |
1.358 x106 |
Sample 6 |
2.475 x104 |
1.032 x106 |
3.544 x106 |
1.244 x106 |
Stock A |
3.309 x105 |
2.366 x106 |
3.750 x106 |
1.452 x106 |
Stock B |
2.949 x105 |
2.289 x106 |
3.706 x10 |
1.429 x106 |
Typical calibration curves from which the sample concentrations were interpolated are shown in the attached Figures (Figure 5 to Figure 8).
The total weights (mg) and analysed concentration (mg/L) of the respective phases for Peak 1 are shown in the following table:
Table 16 – Peak 1
SampleNumber |
TotalWeight(mg)* |
Organic Phase |
Aqueous Phase |
% Recovery |
|||
AnalyzedConcentration(mg/L) |
Weight (mg)† |
AnalyzedConcentration(mg/L) |
Weight (mg)† |
pH |
|||
1 |
36.8 |
464 |
17.6 |
522 |
19.8 |
3.6 |
102 |
2 |
36.8 |
483 |
18.3 |
497 |
18.9 |
4.2 |
101 |
3 |
25.2 |
276 |
7.16 |
325 |
16.9 |
4.4 |
95.6 |
4 |
25.2 |
294 |
7.64 |
312 |
16.2 |
4.5 |
94.7 |
5 |
15.5 |
147 |
2.36 |
177 |
11.4 |
4.6 |
88.6 |
6 |
13.5 |
58 |
0.809 |
193 |
10.8 |
4.7 |
85.8 |
The partition coefficient determined for each sample is shown in the following table:
Table 17 – Peak 1
Sample Number |
Organic/AqueousVolume Ratio |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
1:1 |
0.888 |
-5.16x 10-2 |
0.930 |
2 |
0.971 |
-1.28 x 10-2 |
||
3 |
1:2 |
0.848 |
-7.15 x 10-2 |
0.895 |
4 |
0.943 |
-2.57 x 10-2 |
||
5 |
1:4 |
0.831 |
-8.07 x 10-2 |
0.565 |
6 |
0.299 |
-0.524 |
* From analysis of the stock solution
† From analysis of the respective phase
The total weights (mg) and analysed concentration (mg/L) of the respective phases for Peak 2 are shown in the following table:
Table 18 – Peak 2
SampleNumber |
TotalWeight(mg)* |
Organic Phase |
Aqueous Phase |
% Recovery |
|||
AnalyzedConcentration(mg/L) |
Weight (mg)† |
AnalyzedConcentration(mg/L) |
Weight (mg)† |
pH |
|||
1 |
38.5 |
857 |
32.6 |
139 |
5.27 |
3.6 |
98.4 |
2 |
38.5 |
869 |
33 |
133 |
5.06 |
4.2 |
98.9 |
3 |
26.3 |
743 |
19.3 |
120 |
6.22 |
4.4 |
97.0 |
4 |
26.3 |
725 |
18.9 |
118 |
6.16 |
4.5 |
95.0 |
5 |
16.2 |
581 |
9.29 |
88.9 |
5.69 |
4.6 |
92.4 |
6 |
14.2 |
444 |
6.22 |
115 |
6.45 |
4.7 |
89.3 |
The partition coefficient determined for each sample is shown in the following table:
Table 19 – Peak 2
SampleNumber |
Organic/AqueousVolume Ratio |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
1:1 |
6.18 |
0.791 |
6.35 |
2 |
6.53 |
0.815 |
||
3 |
1:2 |
6.22 |
0.794 |
6.17 |
4 |
6.12 |
0.787 |
||
5 |
1:4 |
6.53 |
0.815 |
5.19 |
6 |
3.86 |
0.586 |
* From analysis of the stock solution
† From analysis of the respective phase
The total weights (mg) and analysed concentration (mg/L) of the respective phases for Peak 3 are shown in the following table:
Table 20 – Peak 3
SampleNumber |
TotalWeight(mg)* |
Organic Phase |
Aqueous Phase |
% Recovery |
|||
AnalyzedConcentration(mg/L) |
Weight (mg)† |
AnalyzedConcentration(mg/L) |
Weight (mg)† |
pH |
|||
1 |
38.3 |
993 |
37.7 |
12.3 |
0.469 |
3.6 |
99.8 |
2 |
38.3 |
1002 |
38.1 |
12.4 |
0.471 |
4.2 |
101 |
3 |
26.2 |
980 |
25.5 |
12.9 |
0.671 |
4.4 |
99.9 |
4 |
26.2 |
972 |
25.3 |
13.4 |
0.699 |
4.5 |
99.2 |
5 |
16.1 |
965 |
15.4 |
12.5 |
0.802 |
4.6 |
101 |
6 |
14.1 |
951 |
13.3 |
16.5 |
0.923 |
4.7 |
101 |
The partition coefficient determined for each sample is shown in the following table:
Table 21 – Peak 3
SampleNumber |
Organic/AqueousVolume Ratio |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
1:1 |
80.5 |
1.91 |
80.7 |
2 |
80.9 |
1.91 |
||
3 |
1:2 |
76.0 |
1.88 |
74.2 |
4 |
72.4 |
1.86 |
||
5 |
1:4 |
76.9 |
1.89 |
67.3 |
6 |
57.8 |
1.76 |
The total weights (mg) and analysed concentration (mg/L) of the respective phases for Peak 4 are shown in the following table:
Table 22 – Peak 4
SampleNumber |
TotalWeight(mg)* |
Organic Phase |
Aqueous Phase |
% Recovery |
|||
Analyzed Concentration (mg/L) |
Weight (mg)† |
Analyzed Concentration (mg/L) |
Weight (mg)† |
pH |
|||
1 |
37.6 |
959 |
36.5 |
1.89 |
7.17 x 10-2 |
3.6 |
97.1 |
2 |
37.6 |
937 |
35.6 |
1.90 |
7.22 x 10-2 |
4.2 |
94.9 |
3 |
25.7 |
935 |
24.3 |
1.93 |
0.100 |
4.4 |
94.8 |
4 |
25.7 |
942 |
24.5 |
1.92 |
9.99 x 10-2 |
4.5 |
95.6 |
5 |
15.8 |
931 |
14.9 |
1.97 |
0.126 |
4.6 |
94.9 |
6 |
13.9 |
852 |
11.9 |
1.90 |
0.106 |
4.7 |
86.9 |
* From analysis of the stock solution
† From analysis of the respective phase
The partition coefficient determined for each sample is shown in the following table:
Table 23 – Peak 4
SampleNumber |
Organic/AqueousVolume Ratio |
Partition Coefficient |
Log10Pow |
Mean Partition Coefficient |
1 |
1:1 |
509 |
2.71 |
501 |
2 |
493 |
2.69 |
||
3 |
1:2 |
484 |
2.69 |
487 |
4 |
490 |
2.69 |
||
5 |
1:4 |
474 |
2.68 |
461 |
6 |
449 |
2.65 |
The overall results for the four peaks are shown in the following table:
Table 24
Peak |
Component of Test Item |
Mean Pow |
Mean Log10Pow |
Mean PowStandard Deviation |
1 |
Monoalkyl phosphate |
0.797 |
-9.88 x 10-2 |
0.250 |
2 |
Dialkyl pyrophosphate |
5.91 |
0.771 |
1.02 |
3 |
Dialkyl phosphate |
74.1 |
1.87 |
8.59 |
4 |
Trialkly pyrophosphate |
483 |
2.68 |
20.3 |
pH of n-octanolsaturated water: 5.4 Temperature: 23.5 ± 0.5°C
Description of key information
Partition Coefficient (n-octanol/water).
The partition coefficient was determined at 23.5 ± 0.5 °C using the shake-flask method, designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. The results are as follows:
Table 2
Component of Test Item |
Pow |
Log10Pow |
Monoalkyl phosphate |
0.797 |
-9.88 x 10-2 |
Dialkyl pyrophosphate |
5.91 |
0.771 |
Dialkyl phosphate |
74.1 |
1.87 |
Trialkly pyrophosphate |
483 |
2.68 |
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.68
- at the temperature of:
- 23.5 °C
Additional information
log Kow ≤ 4.5, the log Kow of the registered substance is lower than 4.5 (maximum log Kow measured at 2.68)
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