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EC number: 441-070-6 | CAS number: 61826-76-4
- 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
- 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
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
Test material
- Reference substance name:
- -
- EC Number:
- 441-070-6
- EC Name:
- -
- Cas Number:
- 61826-76-4
- Molecular formula:
- C14H11NO2
- IUPAC Name:
- (2S)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile
Constituent 1
Results and discussion
Water solubilityopen allclose all
- Key result
- Water solubility:
- 106.1 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Temp.:
- 20 °C
- pH:
- ca. 6.7
- Remarks on result:
- other: mean of day 1 and day 3
- Water solubility:
- 105.7 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- 1 d
- Temp.:
- 20 °C
- pH:
- 6.8
- Water solubility:
- 106.1 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- 2 d
- Temp.:
- 20 °C
- pH:
- ca. 6.7
- Water solubility:
- 106.5 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- 3 d
- Temp.:
- 20 °C
- pH:
- ca. 6.7
- Details on results:
- The concentrations of the test substance (hydrolyses product) was constant between days 1 and 3 at both temperatures. Therefore, the mean of days 1 and 3 was taken as the solubility of the test substance, according to the guidelines. The mass concentration of the test item in deionized water is 106.1 mg/L at 20 °C and 105.7 mg/L at 30 °C.
Any other information on results incl. tables
Preliminary test:
The preliminary test indicated a water solubility of the test item in deionized water at approximately 100 -150 mg/L. The test substance hydrolysed in water. The degradation of a test substance solution with 50 mg/L was completed after about 1 hour. It was not possible to calibrate an analytical method for the test substance because it degraded partly during the run. Therefore the concentration of the hydrolysis product was determined. Probably, the nitrile-group of the test substance reacts with water to the corressponding carbonic acid. In saturated solutions/emulsions the degradation was not complete, both components were present. Therefore, the flask method was chosen for the main test and supplementary the water solubility of the test substance was estimated with the software WSKOWIN, Version v1.4 (Syracuse Research Corporation, New York, USA).
WSKOWIN estimation:
The water solubility of the test item was estimated with the software WSKOWIN, Version v 1.4. The program estimates the water solubility of an organic compound using the log ocatanol-water partition coefficient (Kow). The estimated water solubility is 293.3 mg/L
Applicant's summary and conclusion
- Conclusions:
- The water solubility of the test item was determined according to the "flask method" described in OECD guideline 105 and found to be 106.1 mg/L at 20 °C and a pH of 6.7.
- Executive summary:
The water solubility of the test item was determined according to the "flask method" described in OECD guideline 105 and found to be 106.1 mg/L at 20 °C and a pH of 6.7.
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