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EC number: 273-527-9 | CAS number: 68988-45-4
- 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
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Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 2010-06-13
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The study was performed according to guideline. The test substance was analytically monitored by a substance specific method. The test method was validated with respect to linearity and accuracy.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: Publication: Structural determination of zinc dithiophosphates in lubricating oils by gas chromatography-mass spectrometry with electron impact and electron-capture negative ion chemical ionization Journal of Chromatography A. 905 (2001) 207-222.
- Deviations:
- not applicable
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Zinc bis[O,O-bis(2-ethylhexyl)] bis(dithiophosphate)
- EC Number:
- 224-235-5
- EC Name:
- Zinc bis[O,O-bis(2-ethylhexyl)] bis(dithiophosphate)
- Cas Number:
- 4259-15-8
- Molecular formula:
- Too complex
- IUPAC Name:
- 1-Hexanol, 2-ethyl-, O,O-diester with phosphorodithioic acid, zinc salt
- Details on test material:
- - Name of test material (as cited in study report): OS#44523J
-Substance type: a coordination compound consisting of a zinc metal complex bonded to dialkyldithiophosphate ligands
- Stability under test conditions: An OECD 111, Tier 1, preliminary hydrolysis studies conducted on the substance at 50 deg. C and pH 4, 7 and 9, indicated the dialkyl dithiophosphate ligands are hydrolytically stable ( <10% change in concentration of dialkyldithiophosphate ligand). At pH 9, the zinc metal was exchanged for the sodium of the buffer while the alkyldithiophosphate ligand remained intact.
-Other: The water solubility of the substance was determined to be approx. 9 mg/L at 22 degrees C.
Constituent 1
Study design
- Analytical method:
- other: GC-MS (gas chromatography-mass spectrometry)
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3.59
- Temp.:
- 22 °C
- pH:
- ca. 5
- Details on results:
- The partition coefficient (log Pow) was measured at 3 different Octanol / Water ratios in triplicate. Values for the partition coefficient lay between 3.12 and 3.78 with a mean value of 3.59 ± 0.22. Eight of the nine log Pow values fall within a range of ± 0.3 units, in agreement with the OECD 107 guideline for duplicate determination of Pow at three octanol/water ratios.
A mean mass balance (sample recovery) of 126 ± 12.9% was found. The reason for this higher than expected value is unclear. It is noted that a high mass balance is present for all ratios of octanol/water.
Any other information on results incl. tables
Table 7. Results of Partition Coefficient Test
Octanol/Water Ratio |
Replicate |
Aqueous Phase |
Octanol Phase |
Pow |
logPow |
Mean Pow |
Mean logPow |
Std Dev logPow |
||
Sum GC Peak Areas |
Conc in Water ug/mL |
Sum GC Peak Areas |
Conc in Octanolug/mL |
|||||||
2/1 |
1 |
7154 |
0.53 |
35584 |
1177 |
2220.75 |
3.35 |
4580.83 |
3.62 |
0.24 |
2 |
2527 |
0.23 |
42362 |
1391 |
6047.83 |
3.78 |
||||
3 |
2542 |
0.23 |
38163 |
1259 |
5473.91 |
3.74 |
||||
1/1 |
1 |
2640 |
0.24 |
34246 |
1134 |
4725.00 |
3.67 |
4516.27 |
3.65 |
0.02 |
2 |
2655 |
0.24 |
32666 |
1084 |
4516.67 |
3.65 |
||||
3 |
3260 |
0.28 |
36512 |
1206 |
4307.14 |
3.63 |
||||
1/2 |
1 |
14036 |
0.98 |
38814 |
1279 |
1305.10 |
3.12 |
3757.98 |
3.50 |
0.34 |
2 |
2739 |
0.25 |
45664 |
1496 |
5984.00 |
3.78 |
||||
3 |
3975 |
0.33 |
39956 |
1315 |
3984.848 |
3.60 |
||||
Overall Mean logPow |
3.59 |
|
||||||||
Standard Deviation in logPow |
0.22 |
|
Table 8. Method Accuracy (% of nominal concentration)
Nominal Conc. (mg/L) |
Total Areas |
Dilution Factor |
Concentration (mg/L) |
% of Nominal |
|
0.02 |
38530 |
1 |
0.25 |
123.8% |
|
37111 |
1 |
0.24 |
119.8% |
||
36194 |
1 |
0.23 |
117.3% |
||
1.0 |
170042 |
1 |
0.96 |
95.7% |
|
200023 |
1 |
1.11 |
111.1% |
||
220856 |
1 |
1.22 |
121.6% |
||
4.0 |
1332120 |
1 |
4.66 |
116.4% |
|
1315844 |
1 |
4.64 |
115.9% |
||
1267450 |
1 |
4.57 |
114.3% |
Table 9. Sample Recoveries
Octanol/Water Ratio |
Replicate |
Aqueous Phase Mass (ug) |
Octanol Phase Mass (ug) |
Total Mass |
Initial Mass (ug) |
% Recovery |
Mean % Recovery |
|
2/1 |
1 |
1.6 |
7062 |
7063 |
6000 |
118 |
127.7 |
|
2 |
0.7 |
8348 |
8349 |
6000 |
139 |
|||
3 |
0.7 |
7552 |
7553 |
6000 |
126 |
|||
1/1 |
1 |
1.1 |
5105 |
5106 |
4500 |
113 |
114.0 |
|
2 |
1.1 |
4879 |
4880 |
4500 |
108 |
|||
3 |
1.3 |
5429 |
5430 |
4500 |
121 |
|||
1/2 |
1 |
5.9 |
3838 |
3844 |
3000 |
128 |
136.7 |
|
2 |
1.5 |
4487 |
4488 |
3000 |
150 |
|||
3 |
2.0 |
3946 |
3948 |
3000 |
132 |
|||
Mean % Recovery |
126.1 |
|||||||
Standard Deviation |
13.1 |
Applicant's summary and conclusion
- Conclusions:
- Results of the study indicate the substance partitions primarily into the octanol phase with a logPow of 3.59.
- Executive summary:
Partitioning of the test substance between n-octanol and water was performed by the shake flask method according to OECD 107. Test mixtures were prepared in triplicate under three different conditions where the octanol/water volume ratios were varied ( 1/2 , 2/1, and 1/1). Test mixtures were shaken for 5 min at 22 degrees C and the n-octanol and water phases separated by centrifugation.
The concentration of ZDDPs (zinc dialkyldithiophosphates) in each phase was determined by GC-MS following derivatization. Aliquots from each phase were reacted with pentafluorobenzyl bromide to form halogenated dithiophosphate derivatives according to a procedure described in the publication: "Structural determination of zinc dithiophosphates in lubricating oils by gas chromatography-mass spectrometry with electron impact and electron-capture negative ion chemical ionization" Journal of Chromatography A. 905 (2001) 207-222.
Values for the partition coefficient lay between 3.12 - 3.78 with a mean logPow of 3.59.
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