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EC number: 945-910-7 | 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:
- 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study performed under GLP. All relevant validity criteria were met with acceptable deviations.
- Reason / purpose for cross-reference:
- other:
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- yes
- Remarks:
- 15% variability between 24 to 72 hour measurement was ignored, not considered a significant deviation due to clear test item degradation during the study.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Remarks:
- see above
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- yes
- Remarks:
- see above
- Principles of method if other than guideline:
- Determination of the water solubility of the test item employing the flask method with slow stirring approach. The decision of the slow stirring method was made due to the test item properties. The test guideline was consistent with OECD Guideline 105 (water solubility) modified according to Letinski et al ., “Slow-stir water solubility measurements of selected alcohols and diesters”, Chemosphere, 48, 257 – 265); 2002. To avoid intensive mixing of the test substance with the water phase and slow-stirring at a stirring speed of ≤100 rpm was employed. Two different test item loadings were utilised.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- inspected: September 2015; signature: November 2015
- Type of method:
- flask method
- Water solubility:
- 16.4 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 30 mg/L
- Temp.:
- 20 °C
- pH:
- 8.2
- Remarks on result:
- other: stirred at ≤100 rpm ; 24 hours
- Water solubility:
- 16.7 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 30 mg/L
- Temp.:
- 20 °C
- pH:
- 8.4
- Remarks on result:
- other: stirred at ≤100 rpm ; 48 hours
- Water solubility:
- 15.8 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 30 mg/L
- Temp.:
- 20 °C
- pH:
- 8.8
- Remarks on result:
- other: stirred at ≤100 rpm ; 72 hours
- Water solubility:
- 79 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 300 mg/L
- Temp.:
- 20 °C
- pH:
- 7.8
- Remarks on result:
- other: stirred at ≤100 rpm ; 24 hours
- Water solubility:
- 63 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 300 mg/L
- Temp.:
- 20 °C
- pH:
- 7.9
- Remarks on result:
- other: stirred at ≤100 rpm ; 48 hours
- Water solubility:
- 46.2 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 300 mg/L
- Temp.:
- 20 °C
- pH:
- 7.9
- Remarks on result:
- other: stirred at ≤100 rpm ; 72 hours
- Conclusions:
- Interpretation of results: slightly soluble (0.1-100 mg/L)
The test item water solubility was determined to be between:
16.4 mg/L at a loading rate of 30 mg/L of solution at 20.0 °C and pH 8.8
63.0 mg/L at a loading rate of 300 mg/L of solution at 20.0 °C and pH 7.8.
There was clear evidence of hydrolytic instability of the test item over a period of 72 hours. - Executive summary:
Flask Method, OECD TG 105, 2016: The water solubility of the substance was determined using the slow stirring flask method according to OECD TG 105 and EU Method A.6 under GLP. The test item water solubility was determined to be between two loading rates. Complete disappearance of chromatograph peak 2 occurred at both loading rates within the period of the test (24 to 72 hours) under the conditions of the study. Therefore the water solubility of the test item at 20°C is estimated on the basis of chromatograph peak 1. It was estimated to be 16.4 mg/L at and initial loading rate 30 mg/L and 63 mg/L at an initial loading rate of 300 mg/L. The pH of the aqueous samples was 7.8 - 8.8. Applicant assessment indicates there was clear hydrolytic degradation at (pH 7 to pH 8) during the conduct of the study. With potentially faster degradation at lower concentration of test item. The degradation rate occurred within a period of 24 to 72 hours. Within the lower loading rate all water solubility concentrations were based upon chromatograph peak 1. Which was observed to remain during the study. Within the higher loading rate the water solubility was based upon chromatograph peak 1 and 2. The latter chromatograph peak 2 completely disappeared during the period of the test (< 72 hours).
- Endpoint:
- water solubility
- Data waiving:
- study technically not feasible
- Justification for data waiving:
- other:
- Justification for type of information:
- JUSTIFICATION FOR DATA WAIVING
In accordance with section 2 of REACH Regulation (EC) No. 1907/2006 Annex XI: further study of water solubility does not need to be completed as testing is not technically possible or scientifically needed. The available guidelines (OECD TG 105 and EU Method A.6) are typically applicable to ‘the solubility in water of essentially pure substances which are stable in water’. The substance is hydrolytically unstable and therefore further testing of the substance by the flask method is precluded. The applicant adapts the information requirement by providing an endpoint study record for (1) Water Solubility (up to 72hours) and (2) Hydrolysis as a function of pH. Furthermore no effects were observed in ecotoxicological testing up to WAF loading rate of 100 mg/L. There is adequate information available for classification and risk assessment. According to ECHA Guidance on Information Requirements and Chemical Safety Assessment (Chapter R.7a: Endpoint Specific Guidance, R.7.1.7.4, December 2016) further testing does not need to be conducted.
Referenceopen allclose all
Preliminary test:
Not applicable.
Definitive test:
1. Complete disappearance of chromatograph peak 2 occurred at both loading rates within the period of the test (24 to 72 hours) under the conditions of the study. Therefore the water solubility of the test item at 20°C is estimated on the basis of chromatograph peak 1. It was estimated to be 16.4 mg/L at and initial loading rate 30 mg/L and 63 mg/L at an initial loading rate of 300 mg/L.
2. The maximum difference (MD) of the concentrations determined in the 24, 48 and 72 hour test samples for the initial loading rate 30 mg/L was ≤ 15%. Based on this, the water solubility of the test item is given as the mean value of the analysed concentrations.
3. The maximum difference (MD) of the concentrations determined in the 24, 48 and 72 hour test samples for the initial loading rate 300 mg/L was much higher than 15%. However due to the decrease in concentration and the complex nature of the test item the deviation is accepted and the water solubility of the test item is given as the mean value of the analysed concentrations.
Description of key information
Water Solubility: The test item water solubility was determined to be between: 16.4 mg/L (at a loading rate of 30 mg/L of solution at 20.0 °C and pH 8.8 to 63.0 mg/L (at a loading rate of 300 mg/L of solution at 20.0 °C and pH 7.8. There was clear evidence of hydrolytic instability of the test item over a period of 72 hours. Concentrations based on: oxydipropanol constituent which was stable, slow stir flask method - OECD TG 105, 2016
Key value for chemical safety assessment
Additional information
Flask Method, OECD TG 105, 2016: The water solubility of the substance was determined using the slow stirring flask method according to OECD TG 105 and EU Method A.6 under GLP. The test item water solubility was determined to be between two loading rates. Complete disappearance of chromatograph peak 2 occurred at both loading rates within the period of the test (24 to 72 hours) under the conditions of the study. Therefore the water solubility of the test item at 20°C is estimated on the basis of chromatograph peak 1. It was estimated to be 16.4 mg/L at and initial loading rate 30 mg/L and 63 mg/L at an initial loading rate of 300 mg/L. The pH of the aqueous samples was 7.8 - 8.8. Applicant assessment indicates there was clear hydrolytic degradation at (pH 7 to pH 8) during the conduct of the study. With potentially faster degradation at lower concentration of test item. The degradation rate occurred within a period of 24 to 72 hours. Within the lower loading rate all water solubility concentrations were based upon chromatograph peak 1. Which was observed to remain during the study. Within the higher loading rate the water solubility was based upon chromatograph peak 1 and 2. The latter chromatograph peak 2 completely disappeared during the period of the test (< 72 hours).
Conclusion: There is clear evidence of test item hydrolytic instability of specific constituents of the test item within the pH range 5 to 8.5 within the two separate studies and separate conditions. This was also evidenced in available ecotoxiciology studies in Daphnia sp. and Algae inhibition tests that utilised WAF loading rates of up to 100 mg/L. For example, detected actual concentrations of 6.1 mg/L (WAF: 10 mg/L) and 59 mg/L (WAF: 100 mg/L) in Daphnia medium (analytically maintained within 80 to 110% nominal) under static conditions. This corresponded to one specific test item component (oxydipropanol). No ecotoxicological effects were observed within the WAF loading ranges of concentration and between 48 and 72 hours, respectively.
In accordance with section 2 of REACH Regulation (EC) No. 1907/2006 Annex XI: further study of water solubility does not need to be completed as testing is not technically possible or scientifically needed. The available guidelines (OECD TG 105 and EU Method A.6) are typically applicable to ‘the solubility in water of essentially pure substances which are stable in water’. The substance is hydrolytically unstable and therefore further testing of the substance by the flask method is precluded. The applicant adapts the information requirement by providing an endpoint study record for (1) Water Solubility (up to 72hours) and (2) Hydrolysis as a function of pH. Furthermore no effects were observed in ecotoxicological testing up to WAF loading rate of 100 mg/L. There is adequate information available for classification and risk assessment. According to ECHA Guidance on Information Requirements and Chemical Safety Assessment (Chapter R.7a: Endpoint Specific Guidance, R.7.1.7.4, December 2016) further testing does not need to be conducted.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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