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EC number: 290-998-6 | CAS number: 90295-08-2
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- February from 4th to 6th, 1992
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Remarks:
- Although the log Kow value resulted outside of the applicability domain for the shake-flask method, the test result can be considered as reliable and representative for the tested substance.
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
The usage of information on Direct Blue 199_Na, which has the same main component and with a different counter ion, can be considered as suitable and appropriated because the difference in salification is expected to not influence the characteristics related to the specific end-point.
The impurity profile does not impact on the read across proposed. Details on the approach followed are included in the document attached to the IUCLID section 13. - Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- log Pow
- Partition coefficient:
- -2.29
- Temp.:
- 25 °C
- pH:
- 4.2
- Remarks on result:
- other: range: -2.15 -2.51
- Type:
- Pow
- Partition coefficient:
- 0.005
- Temp.:
- 25 °C
- pH:
- 4.2
- Remarks on result:
- other: SD: 0.0020
- Details on results:
- REFERENCE COMPOUNDS
The values found agree well with either the OECD-value
- Trichloroethylene: guideline logP of 2.54 - 2.76
- o-Dichlorobenzene: guideline logP of 3.36
- Dibutylphthalate: guideline logP of 4.48 - 4.22 - Conclusions:
- log Pow: - 2.29 at 25 °C and pH 4.2
- Executive summary:
The substance was tested for partition coefficient according to the OECD guideline 107 and EU Method A.8, by the shake flask procedure. The concentration of the test substance in the water/octanol phases was determined spectrophotornetrically. For the first run, a volume ratio of n-octanol to water and a quantity of substance was chosen. For the second run, the originally chosen volume ratio was divided by two, and, for a third run, it was multiplied by two; duplicate vessels were used in all three runs. The complete experimental equipment and procedures were tested by determining the partition coefficients of three reference compounds listed in the test guideline (i.e. Trichloroethylene, o-Dichlorobenzene and Dibutylphthalate) and the values recorded agree well with either the guideline-value.
Partition Coefficient between n-Octanol and aqueous phase was stated at 0.0051 at 25 °C and pH 4.2 (log Pow: -2.29).
Conclusion
log Pow: - 2.29 at 25 °C and pH 4.2 (Pow: 0.0051)
Reference
Volume ratios Vaqu/Vorg | ||||||
V1 | V2 = 1/2* V1 | V3 = 2* V1 | ||||
Exp. N. | 1.1 | 1.2 | 2.1 | 2.2 | 3.1 | 3.2 |
Volume in aqu. Phase [ml] | 3 | 3 | 2 | 2 | 4 | 4 |
Volume in oct. phase [ml] | 3 | 3 | 4 | 4 | 2 | 2 |
Conc. in aqu. phase before shaking [E-4 Mol/l] | 2.713 | 2.713 | 2.713 | 2.713 | 2.713 | 2.713 |
Conc. in oct. phase after equilibrium [E-4 Mol/l] | 0.014 | 0.013 | 0.008 | 0.008 | 0.020 | 0.019 |
Conc. in aqu. phase after equilibrium [E-4 Mol/l] | 2.692 | 2.662 | 2.672 | 2.640 | 2.652 | 2.651 |
Partition coefficient Pow | 0.0052 | 0.0048 | 0.0028 | 0.0029 | 0.0074 | 0.0073 |
Mean Pow's for each volume ratio | 0.005 | 0.0029 | 0.0074 | |||
pH of aqu. phase after equilibrium | 4.4 | 4.42 | 4.24 | 4.25 | 4.06 | 4.12 |
Mass balance | ||||||
Stocck solution | 6.782 mg 25 ml water | |||||
g(o) = weight-in [mg] | 0.814 | 0.814 | 0.543 | 0.543 | 1.085 | 1.085 |
g(w) = weight-out in aqu. phase [mg] | 0.808 | 0.799 | 0.534 | 0.528 | 1.061 | 1.060 |
g(or) = weight-out in oct. phase [mg] | 0.004 | 0.004 | 0.003 | 0.003 | 0.004 | 0.004 |
total mass weight-out [mg] | 0.812 | 0.802 | 0.538 | 0.531 | 1.065 | 1.064 |
Description of key information
- 2.29 at 25 °C and pH 4.2 (Pow: 0.0051)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.29
- at the temperature of:
- 25 °C
Additional information
Shake-flask method - OECD guideline 107
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