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EC number: 944-271-1 | 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
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- August 29, 2019 - August 30, 2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- no
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Reaction mass of (((1,3-phenylenebis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate) and (1,3-phenylenebis(oxy))bis(propane-3,1-diyl) bis(2-methylacrylate) and 3-(3-(2-(2-(methacryloyloxy)ethoxy)ethoxy)phenoxy)propyl methacrylaterate
- EC Number:
- 944-271-1
- Cas Number:
- 2305048-54-6
- Molecular formula:
- not applicable for multi-constituent.
- IUPAC Name:
- Reaction mass of (((1,3-phenylenebis(oxy))bis(ethane-2,1-diyl))bis(oxy))bis(ethane-2,1-diyl) bis(2-methylacrylate) and (1,3-phenylenebis(oxy))bis(propane-3,1-diyl) bis(2-methylacrylate) and 3-(3-(2-(2-(methacryloyloxy)ethoxy)ethoxy)phenoxy)propyl methacrylaterate
Constituent 1
- Specific details on test material used for the study:
- Expiration date of the lot/batch: Feburary 1, 2020
Study design
- Analytical method:
- high-performance liquid chromatography
- mass spectrometry
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.22
- Temp.:
- 22.2 °C
- pH:
- 7
- Remarks on result:
- other: Average Log Kow for DiBrOEMA, range of 5.03-5.45.
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.36
- Temp.:
- 22.2 °C
- pH:
- 7
- Remarks on result:
- other: Average Log Kow for DiBrORMA, range of 5.09 - 5.77.
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.77
- Temp.:
- 22.2 °C
- pH:
- 7
- Remarks on result:
- other: Average Log Kow for DiBrE4MA, range of 4.67 - 4.85.
- Key result
- Type:
- Pow
- Partition coefficient:
- 182 000
- Temp.:
- 22.2 °C
- pH:
- 7
- Remarks on result:
- other: Average Kow for DiBrOE2MA, RSD% = 43%
- Key result
- Type:
- Pow
- Partition coefficient:
- 304 000
- Temp.:
- 22.2 °C
- pH:
- 7
- Remarks on result:
- other: Average Kow for DiBrORMA, RSD% = 72%.
- Key result
- Type:
- Pow
- Partition coefficient:
- 59 500
- Temp.:
- 22.2 °C
- pH:
- 7
- Remarks on result:
- other: Average Kow for DiBrE4MA, RSD% = 18%
- Details on results:
- MTDID 49922 is a liquid mixture at room temperature. The Kow was determined for the three primary components DiBrOE2RMA, DiBrORMA, and DiBrE4RMA. The concentrations of DiBrOE2RMA, DiBrORMA, and DiBrE4RMA in the octanol phase and aqueous phase were measured separately, then Kow and log Kow were calculated.
Inter-solvent Kow and log Kow values of DiBrOE2MA were 182000 (RSD% =43%) and 5.22; and inter-solvent Kow and log Kow values of DiBrORMA were 304000 (RSD= 72%) and 5.36; and inter-solvent Kow and log Kow values of DiBrE4RMA were 59500 (RSD= 18%) and 4.77.
One ratio A (1:1) sample was not used to calculate Kow value because the aqueous phase was contaminated with octanol phase, leading to the higher concentrations and larger RPDs of DiBrOE2MA, DiBrORMA and DiBrE4RMA. There was almost no influence on the calculation of Kow results using 5 samples, including all three ratios. Therefore, the calculated Kow results were acceptable using 5 samples in the study.
Any other information on results incl. tables
Table 1. Kow results summary for MTDID 49922
Ratio |
Vial |
DiBrOE2MA Kow (RPD%)(1) |
DiBrOE2MA Log Kow (RPD%)(1) |
DiBrORMA Kow (RPD%)(1) |
DiBrORMA Log Kow (RPD%)(1) |
DiBrE4MA Kow (RPD%)(1) |
DiBrE4MA Log Kow (RPD%)(1) |
Ratio A (1:1) |
1(2) |
N/A |
N/A |
N/A |
N/A |
N/A |
N/A |
|
2 |
158000 (3.4%) |
5.20 (0.28%) |
177000 (2.5%) |
5.25 (0.20%) |
63200 (4.0%) |
4.80 (0.36%) |
Ratio B (1:2) |
1 |
116000 (0.22%) |
5.07 (0.019%) |
137000 (1.6%) |
5.14 (0.13%) |
50000 (3.8%) |
4.70 (0.35%) |
|
2 |
107000 (0.25%) |
5.03 (0.021%) |
123000 (8.8%) |
5.09 (0.75%) |
46500 (0.88%) |
4.67 (0.082%) |
Ratio C (2:1) |
1 |
250000 (16%) |
5.40 (1.3%) |
496000 (23%) |
5.69 (1.8%) |
67300 (14%) |
4.83(1.3%) |
|
2 |
281000 (0.42%) |
5.45 (0.034%) |
585000 (9.3%) |
5.77 (0.70%) |
70300 (0.84%) |
4.85 (0.075%) |
Average |
|
182000 |
5.22 |
304000 |
5.36 |
59500 |
4.77 |
RSD |
|
43% |
|
72% |
|
18% |
|
Log Kow range |
|
|
5.03-5.45(3) |
|
5.09-5.77(4) |
|
4.67-4.85(3) |
(1) Average of duplicate aliquot measurement andrelative percent difference (RPD)
(2)The sample was not used due to aqueous phase duplicate samples were contaminated with its octanol phase.
(3)
Log Kow range was within average ± 0.3 log units and met acceptance
criteria.
(4) Log Kow range was not within average ± 0.3 log units
Applicant's summary and conclusion
- Conclusions:
- MTDID 49922 is a liquid mixture at room temperature. The log Kow was determined for the three primary components DiBrOE2RMA, DiBrORMA, and DiBrE4RMA. Under the conditions of this study, the average log Kow was 5.22 for DiBrOE2MA, 5.36 for DiBrORMA, and 4.77 for DiBrE4RMA.
- Executive summary:
The n-Octanol/Water Partition Coefficient (Kow) of MTDID 49922 was determined according to U.S EPA guidance document OPPTS 830.7550 "Partition Coefficient (n-Octanol/Water), Shake Flask Method".
Duplicate test vessels of three different volume ratios (1:1, 1:2, and 2:1) of MTDID 49922 dosed n-octanol to water were prepared. The samples were rotated 180 ° about their transverse axis at nominal 30 RPM for 20 minutes (total 600 rotations) to ensure proper mixing of the test system solvents. The samples were then centrifuged at 1500 RPM for 15 minutes to ensure phase separation, prior to removing n-octanol and the aqueous sample analysis aliquots. Duplicate n-octanol aliquots were removed first from each vial and diluted with methanol. After the n-octanol aliquot removal, duplicate water aliquots were carefully removed and diluted with methanol. All samples were analyzed using liquid chromatography/mass spectrometry (GC/MS/MS).
MTDID 49922 is a liquid mixture at room temperature. The partitioning coefficients were determined based on measured concentrations in n-octanol and water phase for the three primary components DiBrOE2RMA, DiBrORMA, and DiBrE4RMA. Under the conditions of this study, the average measured Kow of DiBrOE2MA was 182000 (RSD=43%), the average measured Kow of DiBrORMA was 304000 (RSD=72%), and the average measured Kow of DiBrE4RMA was 59500 (RSD=18%). The calculated log Kow was 5.22 for DiBrOE2MA, 5.36 for DiBrORMA, and 4.77 for DiBrE4RMA.
This is a guideline study but not conducted under GLP. While OECD and OPPTS guidance indicate Kow should be determined for “pure” substance, the method was extended the applicability to the mixture (MTDID 49922) in this study. The Kow were measured for MTDID 49922 components present at >10% purity. It should be noted that the Nernst partition law applies strictly to a pure substance dispersed between two pure solvents and when the concentration of the solute in either phase is not more than 0.01 M. If several different solutes occur in one or both phases at the same time, this may affect the partition coefficient results. Nevertheless, it is considered reliable with restriction and a key study. This study is pertinent to the fate of MTDID 49922 and may be used for Risk Assessment, Classification & Labelling, and PBT Analysis.
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