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EC number: 436-690-9 | CAS number: 220727-26-4
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- The department of health of the government of the United Kingdom
- Type of method:
- flask method
- Water solubility:
- 0.536 mg/L
- Temp.:
- 20 °C
- pH:
- >= 5.23 - <= 5.8
- Remarks on result:
- other: Mean concentration: 5.36 x 10-4 g/L at 20.0 ± 0.5 °C; Range: 4.26 x 10-4 g/L to 7.01 x 10-4 g/L
- Details on results:
- Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 5.31 x 10-2 to 1.06 mg/L.This was satisfactory with a correlation coefficient of 1.000 being obtained. - Executive summary:
The water solubility of Y-15099 (CAS 220727-26-4) was investigated in a GLP study according to OECD 105 and was determinated to be 0.536 mg/L at 20.0 ± 0.5 °C (mean concentration) at pH 5.23-5.80. The results ranged from 0.426 m/L to 0.701 m/L.
The concentration of test item in the sample solutions was determined by high performance liquid chromatography (HPLC).
It should also be noted that due to the rapid hydrolysis of the test item the saturation concentration can only be maintained in the presence of a large excess of test item. Therefore this value should be considered as a worst case in that any solution will quickly hydrolyse, removing the test item from solution.
Reference
Preliminary test
The preliminary estimate of water solubility was 6.09 x 10-4g/L
Definitive test
The concentration (g/L) of test item in the sample solutions is shown in the following table:
sample number
|
time shaken at Ca. 30 °C (hours) |
time equilibrated at 20 °C (hours) |
concentration (g/L)
|
solution pH
|
1 |
24 |
24 |
4.79 x 10-4 |
5.73 |
2 |
48 |
24 |
4.26 x 10-4 |
5.80 |
3 |
72 |
24 |
7.01 x 10-4 |
5.23 |
Discussion
It is evident from the information obtained in the hydrolysis test (see Section 5) that hydrolysis of the sample solution occurred during the course of the water solubility test. However, as the samples were loaded with a large excess of test item (ca. 3700 times greater than the determined saturation concentration) there was sufficient undissolved test item to maintain saturation replacing any dissolved test item lost through hydrolysis. This does mean that there is a larger than usual variation in the results. Normally, according to guidelines, a sample which had a result greater than 15% away from the mean should be discounted, however due to the inherent variation due to hydrolysis the highest sample result has been included despite being outside this tolerance.
It should also be noted that due to the rapid hydrolysis of the test item the saturation concentration can only be maintained in the presence of a large excess of test item. Therefore this value should be considered as a worst case in that any solution will quickly hydrolyse, removing the test item from solution.
Description of key information
0.536 mg/L at 20.0 ± 0.5 °C (mean concentration) at pH 5.23-5.80
Range: 0.426 mg/L to 0.701 mg/L
Key value for chemical safety assessment
- Water solubility:
- 0.536 mg/L
- at the temperature of:
- 20 °C
Additional information
Flask method (OECD 105). The concentration of test item in the sample solutions was determined by high performance liquid chromatography (HPLC).
Discussion
It should also be noted that due to the rapid hydrolysis of the test item the saturation concentration can only be maintained in the presence of a large excess of test item. Therefore this value should be considered as a worst case in that any solution will quickly hydrolyse, removing the test item from solution.
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