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EC number: 817-828-0 | CAS number: 80322-82-3
- 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:
- 9-10 February 2022
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- Commission Regulation (EC) No 440/2008 of 30 May 2008 laying down test methods pursuant
to Regulation (EC) No 1907/2006 of the European Parliament and of the Council on the
Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) - Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- July 1995
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-[2-(2-hydroxyethoxy)ethoxy]ethanol,methanesulfonic acid
- Cas Number:
- 80322-82-3
- Molecular formula:
- C8H18O8S2
- IUPAC Name:
- 2-[2-(2-hydroxyethoxy)ethoxy]ethanol,methanesulfonic acid
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- Oxidane
- Reference substance name:
- 1,2-Ethandiylbis(oxy-2,1-ethandiyl)-monomethanesulfonat
- IUPAC Name:
- 1,2-Ethandiylbis(oxy-2,1-ethandiyl)-monomethanesulfonat
- Test material form:
- liquid
- Details on test material:
- Appearance: Dark yellow liquid
Batch No.: 01110008
Storage: -5 – 40 °C, container tightly closed, protected from light
Constituent 1
impurity 1
impurity 2
- Specific details on test material used for the study:
- Batch No.: 01110008
Storage: 2-8 °C, protected from light
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.15
- Temp.:
- 22 °C
- pH:
- >= 3.4 - <= 3.5
- Remarks on result:
- other: median value for all three volume ratios and six replicates
- Details on results:
- The data obtained for the log POW determination of Triethylene glycol dimethanesulfonate according to the OECD guideline 107 is summarised in the section 'Any other information on results incl. tables' below.
The determined log POW values were in the range of -1.17 to -1.14 for all three volume ratios and all replicates. The recovery rates of the mass balance calculations for each replicate ranged from 97 to 102%.
The determined log POW value of Triethylene glycol dimethanesulfonate (CAS no. 80322-82-3) is -1.15 with a standard deviation of ± 0.01.
The test temperature ranged from 22 to 23 °C over the duration of the test. Thus, the test was performed at a temperature in the range of 20 to 25 °C, kept constant at ±1 °C as required by the guideline.
The pH values in all replicates were in the range of 3.4 to 3.5 at the end of the test.
The validity criterion as specified in above was met, because the determined log POW values were within ± 0.3 units from the mean for all replicates.
Any other information on results incl. tables
Remark:
According to the guideline, this test should be conducted with the non-ionised form of the test item. As the test item has no ionisable moieties, it is non-charged in the whole pH range. Therefore, the test could be conducted without using a pH buffer and the final pH determined in the test assays should have no influence on the determined log Pow value.
Concentrations in the two phases, mass-balance and log Pow determinations
Replicate | Phase | Determined concentration (mg/l) | Mass balance: total introduced (mg)* | Mass balance: Total determined (mg)** | Mass balance: recovery rate (%)*** | Pow | log Pow | Mean (Stdev) |
Ratio 1:2_A | 1-octanol aqueous | 207 2932 | 199 | 203 | 102 | 0.0705 | -1.15 | -1.15 (0.01) |
Ratio 1:2_B | 1-octanol aqueous | 202 2848 | 199 | 197 | 99 | 0.0711 | -1.15 | |
Ratio 1:4_A | 1-octanol aqueous | 205 2823 | 238 | 230 | 97 | 0.0725 | -1.14 | |
Ratio 1:4_B | 1-octanol aqueous | 213 2947 | 238 | 240 | 101 | 0.0723 | -1.14 | |
Ratio 1:8_A | 1-octanol aqueous | 195 2881 | 265 | 259 | 98 | 0.0676 | -1.17 | |
Ratio 1:8_B | 1-octanol aqueous | 202 2894 | 265 | 260 | 98 | 0.0696 | -1.16 |
*Test item concentration in the stock solution (2977 mg/l) times the solvent volume of the aqueous phase
** Sum of determined concentration times the solvent volume for each phase
*** Percentage of total determined / total introduced into the system
Applicant's summary and conclusion
- Conclusions:
- The flask method was applied for the determination of the log Pow of the test item Triethylene glycol dimethanesulfonate (CAS no. 80322-82-3).
The determined log Pow values were in the range of -1.17 to -1.14 for all three volume ratios and all replicates. The recovery rates of the mass balance calculations for each replicate ranged from 97 to 102%. The determined log Pow value of Triethylene glycol dimethanesulfonate (CAS no. 80322-82-3) is -1.15 with a standard deviation of ± 0.01 at 22 to 23 °C and pH between 3.4 and 3.5 . - Executive summary:
The log POW of the test item Triethylene glycol dimethanesulfonate (CAS no. 80322-82-3) was determined according to the OECD guideline 107.
Ultra-pure water, 1-octanol and the test item were equilibrated in test vessels by shaking, applying three different volume ratios of the two solvents. Subsequently, the test item concentrations were determined in both solvent phases.
The determined log Pow values were in the range of -1.17 to -1.14 for all three volume ratios and all replicates. The recovery rates of the mass balance calculations for each replicate ranged from 97 to 102%.
The determined log Pow value of Triethylene glycol dimethanesulfonate (CAS no. 80322-82-3) at 22 to 23 °C and pH between 3.4 and 3.5 is -1.15 with a standard deviation of ± 0.01.
The validity criterion was fulfilled.
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