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EC number: 615-064-0 | CAS number: 700874-87-9
- 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:
- December 2019 to March 2020
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- Not GLP
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- yes
- Remarks:
- pH of the aqueous phase before and after the experiment was not reported
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 2008
- Deviations:
- yes
- Remarks:
- pH of the aqueous phase before and after the experiment was not reported
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch number of test material:
Solvay Manufacture Plant / Batch number: 190530v10
- Expiration date of the lot/batch:
May 2023
- Purity test date: 12 December 2019 - Analytical method:
- gas chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 2.58
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not measured
- Details on results:
- MOVE3 peak was not visible in the aqueous phase.
The concentration of MOVE3 in water was then considered to be lower than the ratio of the limit of quantification divided by the water amount quantified by gas chromatography.
For octanol phase analyses, the massic percentage of MOVE3 was determined by the massic ratio of Move3 divided by octanol.
The n-octanol/water partition coefficient is calculated with the values obtained for the six assays.
Note 1: The OECD guideline 107 specifies that the maximum test item concentration is 0.01 mole per liter in each phase. This corresponds to 2.32 g/L for the MOVE3. This recommendation is met for all tests.
Note 2: MOVE3 is exhibit a particular behavior, it presents a miscibility gap either with water and Octanol: The mixtures MOVE3/Water and MOVE3/Octanol are two liquid phase system when large amount of MOVE3 is added. - Conclusions:
- The log Kow of MOVE3 was determined to be > 2.58
- Executive summary:
The determination of the octanol/water partition coefficient was performed according to the regulation (CE) n°440/2008, A.8: “Partition coefficient”, May 2008 and to the OECD Guideline n° 107: “Partition coefficient (n-octanol/water): Shake Flask Method”, adopted July, 27, 1995 using the shake flask method.
Considering the high volatility of the test item, adaptations to the standard procedure were put in place in order to reduce as much as possible losses of the test item from water to the vapour phase during the measurements:
- Special sealed cells of 1L volume are used for these tests,
- The cells are filled with a mixture of water and octanol corresponding to the needed volumic ratio and thermostated at 20 °C. MOVE3 is then loaded in the cell in liquid form with a syringe.
The use of the cells allows to reduce the shaking and the shear rate in the cells, then the potential emulsion between the two liquid phases. Samples of the octanol phase are taken through the septum of the top of the cell. The samples of the aqueous phase are taken laterally through the lower lateral septum, so that the sampling needle does not pass through the organic phase. This avoids pollution of the samples.
The assays with volumic ratio octanol/water of 1:1, 1:2 and 2:1 were done twice. For each assay, water and n-octanol phases were sampled after 4 hours of stirring and 15 hours of settling and analyzed with a gas chromatography method.
MOVE3 peak was not visible in the aqueous phase. The concentration of MOVE3 in water was then considered to be lower than the ratio of the limit of quantification divided by the water amount quantified by gas chromatography. For octanol phase analyses, the massic percentage of MOVE3 was determined by the massic ratio of Move3 divided by octanol.
The n-octanol/water partition coefficient was calculated with the values obtained for six assays. The log Kow of MOVE3 was determined to be > 2.58.
Reference
Sample | Volumic ratio (Voctanol / Vwater) | Concentration in water phase (g/L) | Concentration in octanol phase (g/L) +- standard deviation | Pow | Log Pow |
Assay 1 | 1/1 | < 0.0049 | 1.91 +- 0.05 | > 391.18 | > 2.59 |
Assay 2 | 1/1 | < 0.0051 | 1.77 +- 0.06 | > 344.72 | > 2.54 |
Assay 3 | 2/1 | < 0.0052 | 2.25 +- 0.01 | > 443.90 | > 2.65 |
Assay 4 | 2/1 | < 0.0050 | 1.79 +- 0.07 | > 355.51 | > 2.55 |
Assay 5 | 1/2 | < 0.0052 | 1.82 +- 0.04 | > 350.08 | > 2.54 |
Assay 6 | 1/2 | < 0.0053 | 2.22 +- 0.10 | > 420.63 | > 2.62 |
Description of key information
The log Kow of MOVE3 is > 2.58.
Key value for chemical safety assessment
Additional information
Two studies are available.
In the first one (2017) the shake flask method (described in the OECD guideline No. 107) was technically unfeasible due to the technical impossibility of developing an analytical method for the quantification in octanol. Indeed during the development of the analytical method it was observed that preparing stock and calibration solutions in octanol sufficiently accurate for quantitative analysis of MOVE3 in n-octanol was not possible. Two predictions basing on two different QSAR methods were also tried as part of the experimental study of Kow. The reliability of such predictions was not evaluated, indeed the two values were not consistent and the validity of such calculations is questionable. The HPLC method (described in the OECD guideline No. 117) was tested but proved not applicable since MOVE3 is not detected using UV detection at 210 nm, Refractive Index detection, Evaporative Light Scattering detection or Mass Spectrometric detection. The study is consireded unreliable (Klimisch 3).
The measurement was repeated in 2020 according to the EU method A.8: “Partition coefficient” and to the OECD Guideline n° 107: “Partition coefficient (n-octanol/water): Shake Flask Method”. Considering the high volatility of the test item, adaptations to the standard procedure were put in place in order to reduce as much as possible losses of the test item from water to the vapour phase during the measurements. MOVE3 peak was not visible in the aqueous phase (concentration < LOQ), while it was quantified in the octanol phase, an exact value of Kow was therefore not obtained. The log Kow of MOVE3 was found to be > 2.58.
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