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EC number: 700-778-8 | CAS number: 1064076-86-3
- 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
- Study period:
- December 16, 2011 - January 27, 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: This study has been performed according to OECD and EU guidelines and in compliance with GLP principles.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- (1995)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- (O.J. no L142, 2008)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Version / remarks:
- (1998)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
Test material
- Reference substance name:
- N-cyclohexylcyclohexanaminium (2S)-4-fluoro-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4'-methanesulfonyl-[1,1'-biphenyl]-4-yl}ethyl]amino}pentanoate
- EC Number:
- 700-778-8
- Cas Number:
- 1064076-86-3
- Molecular formula:
- C21H23F4NO4S.C12H23N
- IUPAC Name:
- N-cyclohexylcyclohexanaminium (2S)-4-fluoro-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4'-methanesulfonyl-[1,1'-biphenyl]-4-yl}ethyl]amino}pentanoate
- Details on test material:
- - Name of test material (as cited in study report): Biphenyl DCHA Salt
- Description: White powder
Constituent 1
Results and discussion
Water solubilityopen allclose all
- Water solubility:
- 0.221 g/L
- Temp.:
- 20 °C
- pH:
- 7 - 7.2
- Remarks on result:
- other: value is mean of analysed concentrations after 24, 48 and 72 h of stirring and based on the response of the cationic part (m/z 182.2 amu)
- Water solubility:
- 0.182 g/L
- Temp.:
- 20 °C
- pH:
- 7 - 7.2
- Remarks on result:
- other: value is mean of analysed concentrations after 24, 48 and 72 h of stirring and based on the response of the anionic part (m/z 462.1 amu)
Any other information on results incl. tables
Preliminary test
The content of test substance dissolved in the water sample after two times centrifugation for 5 minutes at 20°C and at 16421 g was 0.183 g/l based on the response of the cationic part of the test substance at m/z 182.2 amu and 0.190 g/l based on the response of the anionic part of the test substance at m/z 462.1 amu.
Main study
The centrifugation method was found to be sufficient to remove all undissolved test substance in three centrifugation steps.
The maximum difference (MD) of the concentrations determined in the 24, 48 and 72 hour test samples was ≤ 15%. Based on this, the water solubility of the test substance is given as the mean value of the analysed concentrations.
No test substance was detected in the pretreated sample from the blank water mixture.
The results of the preliminary test and the main study for both the cationic and anionic part of the test substance were considered comparable. The results from the main study are reported as water solubility of the test substance.
Water solubility of the test substance based on the response of the cationic part
Stirring time
|
Analysed test substance concentration |
Mean test substance concentration |
MD
|
pH |
|
|
|
|
|
24 |
0.219 |
0.221 |
3.5 |
7.0 |
|
|
|
|
|
48 |
0.217 |
|
|
7.1 |
|
|
|
|
|
72 |
0.225 |
|
|
7.2 |
|
|
|
|
|
Water solubility of the test substance based on the response of the anionic part
Stirring time
|
Analysed test substance concentration |
Mean test substance concentration |
MD
|
pH |
|
|
|
|
|
24 |
0.187 |
0.182 |
5.2 |
7.0 |
|
|
|
|
|
48 |
0.178 |
|
|
7.1 |
|
|
|
|
|
72 |
0.182 |
|
|
7.2 |
|
|
|
|
|
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
The flask method was applied for the determination of the water solubility of Biphenyl DCHA Salt.
The water solubility of the test substance at 20°C was 0.221 g/l based on the response of the cationic part of the test substance and 0.182 g/l based on the response of the anionic part of the test substance. The pH of the aqueous samples was 7.0 – 7.2.
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