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Diss Factsheets
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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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- experimental dates: 14-22 February 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted according to an internationally recognised method, with some adaptation as recommended by ECHA conducted according to scientific principles, and under GLP. The substance is considered to be adequately characterised, with isomers composition. Therefore full validation applies.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 27 July 1995
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- Commission Regulation (EC) No 440/2008 on test methods, Method A.6: “Water Solubility” (as amended by Regulation (EU) No 260/2014
An adaptation of the standard method will be performed taking into account the findings of Letinski, D.J., Connolly, M.J., Peterson, D.R. and Parkerton, T.F. (2002) “Slow-stir water solubility measurements of selected alcohols and diesters”, Chemosphere 48, 257-265.
The OECD guideline for the Testing of Chemicals No 123 “Partition Coefficient (1-Octanol/Water): Slow-Stirring Method”, 11 July 2006, was also considered. - GLP compliance:
- yes (incl. QA statement)
- Remarks:
- signed on 15 Nov. 2018
- Type of method:
- flask method
- Remarks:
- with slow-stirring adaptation
- Specific details on test material used for the study:
- Storage conditions of test material: Stored refrigerated (2-8°C) in aluminium bottle. An injection of nitrogen conditions gas is performed into the bottle after each sampling to keep the test item under nitrogen atmosphere during the storage period.
- Key result
- Water solubility:
- 40 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 5.8 - <= 6.61
- Executive summary:
The water solubility of the test substance was measured under GLP according OECD 105 guideline, modified with slow-stirring adaptation from Lentinski et al (2002).
Three vessels were prepared, at 20°C. Quantification was performed with a validated HPLC-DAD method. The first vessel was used to determine the equilibration time. When achieved, test item concentration was determined in the other two vessels.
The water solubility was calculated as the average of the three vessels at the final sampling time: 40.0 mg/L (at 20°C and pH ca 6).
Reference
Preliminary test
A preliminary test was carried out as a range finding test prior to the main test. The concentration range obtained gave an indication on the necessary analytical method sensitivity.
Increasing volumes of water were added at room temperature to 21.0 mg of the test sample in a 100 mL glass-stoppered measuring cylinder. After each addition of an amount of water, the mixture was shaken for 10 minutes and was visually checked for any undissolved parts of the sample.
The test item (21.0 mg) was not solubilized by a water volume of 100 mL after 24 h, corresponding to a solubility inferior to 0.2 g/L.
Ecotoxicity
tests were recently performed on this test item (“Daphnia sp., Acute
Immobilisation Test”: see LPL report D18-027; "Freshwater Alga and
Cyanobacteria, Growth Inhibition Test»: see LPL report A18-027). Stock
solutions of the test item were prepared in water with the slow-stirring
method. Approximately 1 g of test item was carefully added directly to
the surface of the test water
(~ 1 L). The mixing vessel was thereafter closed immediately. The mixing
was initiated with the vortex in the centre extending maximally around
10 % vessel depth from the top to the bottom of the vessel. After about
24 hours of gentle stirring in the dark at room temperature, the
contents of the vessel were allowed to stand undisturbed for at least 1
hour before sampling. Two stock solutions were prepared for each test,
one for the range finding test and the other for the final test.
Even though it was obtained with a fixed equilibration time (24 h), at a non-controlled temperature (room temperature) and not in pure water (algae and daphnia test waters), a value of about 40 mg/L can be considered as an estimation of the test item water solubility. This is consistent with the estimation of 39.7 mg/L obtained by a (Q)SAR method (Kreatis, iSafeRat model, data provided by the study monitor).
It was observed, during this preliminary test and the ecotoxicity tests, that the test item is less dense than water.
Main test
Concentrations profiles
The following table presents the concentrations (in mg/L) obtained during the study for the vessel 1.
Sampling date (m/d/y) |
Equilibration time (h) |
Replicate 1 |
Replicate 2 |
Mean |
02/14/2019 11:05 |
Preparation (t0) |
--- |
--- |
--- |
02/15/2019 10:35 |
ca 24h |
26.84 |
26.59 |
26.72 |
02/18/2019 14:45 |
ca 100h |
38.25 |
38.49 |
38.37 |
02/19/2019 11:30 |
ca 120h |
38.10 |
38.76 |
38.43 |
02/20/2019 11:10 |
ca 144h |
38.41 |
38.11 |
38.26 |
02/21/2019 10:15 |
ca 167h |
40.37 |
39.19 |
39.78 |
Sampling in vessels 2 and 3 occurred on 22 February at 10:30, after ca 167 h. The concentrations measured (in mg/L) for these two vessels were:
|
Replicate 1 |
Replicate 2 |
Mean |
Vessel 2 |
40.13 |
39.25 |
39.69 |
Vessel 3 |
40.46 |
40.76 |
40.61 |
The pH values measured in the three systems were:
- 6.61 in vessel 1 and 6.49 in vessels 2 and 3 at the beginning of the experiment;
- 5.83 in vessel 1, 5.80 in vessel 2 and 5.99 in vessel 3 at the end of the experiment.
The pH controlled with the indicator strips for each specimen was 5 for all the samples taken from the three vessels.
The temperature variations were included in the range 19.8 °C - 20.2 °C.
Equilibrium demonstration
From the t-test, the equilibrium state can be declared for the vessel 1 between 18 February at 14:45 to 21 February at 10:15.
The maximum difference observed in the 5 last samples was 4%.
Since the two conditions were fulfilled, the equilibrium state was declared on 21 February at 10:15 for the vessel 1.
Water solubility calculation
The mean of the two samples at the equilibrium statedeclaration on 21 February at 10:15 was:
39.78 mg/L for vessel 1.
The means of the two other vessels, obtained for the same equilibration time, on 22 February at 10:30, were:
39.69 mg/L for vessel 2.
40.61 mg/L for vessel 3.
The maximum difference observed between these three determinations is 2 %, which proves that an acceptable repeatability is obtained (the OECD 105 acceptability criterion for the maximum difference between two tests by the column elution method is 30 % and 15 % for the shake flask method).
The ST 03 C 18 solubility in water is given by the mean of the values obtained for the three vessels: 40.0 +/- 0.4 mg/L.
Description of key information
Considered as slightly soluble, with equilibrium reached at 96h.
pH of saturated solution: ca 6.
Key value for chemical safety assessment
- Water solubility:
- 40 mg/L
- at the temperature of:
- 20 °C
Additional information
A fully reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available. Therefore, it is considered as a key study, and the result is retained as key value.
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