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EC number: 942-754-1 | 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
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:
- from 2014-07-03 to 2014-07-16
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted according to an internationally recognised method, and under GLP. No deviation affected the quality of the study. Substance ID is adequately specified with isomers composition. Therefore full validation applies.
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Inspected on 03-05 June 2013 / Signed on 05 November 2013
- Type of method:
- column elution method
- Key result
- Water solubility:
- 4.97 mg/L
- Incubation duration:
- 72 h
- Temp.:
- 20 °C
- pH:
- 8
- Remarks on result:
- other: isomer 1 in double distilled water
- Key result
- Water solubility:
- 1.87 mg/L
- Incubation duration:
- 72 h
- Temp.:
- 20 °C
- pH:
- 8
- Remarks on result:
- other: isomer 2 in double distilled water
- Water solubility:
- 4.76 mg/L
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: isomer 1 in daphnia medium (M4)
- Water solubility:
- 1.75 mg/L
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: isomer 2 in daphnia medium (M4)
- Details on results:
- The analytical method on ST 11 C 88 was validated with satisfactory results regarding linearity, limits of quantification, accuracy, precision and specificity:
Linearity: 1 – 50 µg test item/L (n = 8), corresponding to 0.270 – 13.5 µg isomer 1/L, 0.513 – 25.7 µg isomer 2/L and 0.0682 – 3.41 µg isomer 3/L
r2 = 0.9921 – 0.9990
LOQ: target 0.5 mg test item/L, corresponding to 0.135 mg isomer 1/L, 0.257 mg isomer 2/L and 0.0341 mg isomer 3/L
Recovery rates: 77-93 % for the 3 individual isomers, 2 test media and 1x and 5xLOQ levels (RSD max 8.8%)
Specificity The blank values of control samples showed no significant signal of the test item above background levels for each of the three test item isomers. - Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
- Executive summary:
The water solubility of the test item was determined under GLP according to OECD 105 / EC A.6 guidelines, column elution method, in double distilled water and in daphnia medium (M4).
Analysis were performed using SPME-GC-MS. The method was validated with satisfactory results regarding linearity, limits of quantification, accuracy, precision and specificity for each of the three isomers, as well as for both test media.
The system was equilibrated for 72h at 20.0°C, plateau was found to be reached from first sampling.
The pH-values were measured with special indicator strips. All samples were checked negative for colloidal dispersed material utilising the Tyndall effect.
The water solubility was determined separately for each isomer of the test item:Isomer 1: 4.97 mg/L
Isomer 2: 1.87 mg/L
Isomer 3: 1.20 mg/L (impurity according to REACh)
and
Isomer 1: 4.76 mg/L
Isomer 2: 1.75 mg/L
Isomer 3: 1.09 mg/L
in daphnia medium (M4) (pH = 7)
Reference
The Tyndall effect (check for colloidal matter) was negative for all samples.
Equilibrium was considered reached 72h after application.
The water solubility was determined separately for each isomer of the test item (average of 5 consecutive sampling):
Water solubility [mg/L] |
|||
Test medium |
Isomer 1 |
Isomer 2 |
Isomer 3 |
Double distilled water |
4.97 ± 0.35 |
1.87 ± 0.12 |
1.20 ± 0.10 |
Daphnia M4 medium |
4.76 ± 0.31 |
1.75 ± 0.08 |
1.09 ± 0.09 |
The solubilities in the different test media did not differ significantly.
The distribution of components in the test item, based on the sum of isomers 1, 2 and 3, is 31.8 / 60.2 / 8.0 %. In the test conditions, the distribution in the aqueous solutions is 61.8 / 23.3 / 14.9 % in distilled water, and 62.6 / 23.0 / 14.3 % in M4 medium, showing differential solubility of isomers 1 and 2.
Description of key information
After 72h equilibrium at 20°C, the concentrations of the major constituents were:
4.97 mg/L for isomer 1 and 1.87 mg/L for isomer 2 in double distilled water (pH = 8)
and
4.76 mg/L for isomer 1 and 1.75 mg/L for isomer 2 in daphnia medium (M4) (pH = 7)
Key value for chemical safety assessment
- Water solubility:
- 1.87 mg/L
- at the temperature of:
- 20 °C
Additional information
A fully reliable study, conducted according to a recognized OECD/EU method and under GLP, is available. Testing was performed in both double distilled water, according to the guidelines, and M4 medium was added as considered more representative of actual environmental conditions.
Despite the test substance is considered as surface active (please refer to point 4.10), there was no evidence for true surface activity (emulsion or oversaturation).
Therefore it is considered as a key study. As a multiconsituent substance, it is considered more relevant to express the results per individual isomer, but for purpose of QSAR predictions, the lowest value was retained as key.
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