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EC number: 812-037-7 | CAS number: 1793011-72-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Cross-reference
- Reason / purpose for cross-reference:
- reference to same study
Reference
- 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
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- other: Estimation method
- Water solubility:
- > 500 g/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 509 g/L
- Incubation duration:
- 27 h
- Temp.:
- 20 °C
- pH:
- 8.4
- Details on results:
- Test 1: Since all test item had dissolved at nominal concentration of 108 mg/L, the test was repeated at a higher test item concentration. The pH of the aqueous sample was 8.4.
Tests 2 and 3: After the stirring period, both test samples at a 1:2 ratio w/w were black coloured and no undissolved test item was observed after centrifugation. Further testing is not considered possible. The test guidelines prescribe testing at a concentration five times the saturation concentration but testing at concentrations above 1000 g/L means testing how much water dissolves in the test item. Furthermore these solutions cannot be stirred. Based on the tests performed, it was concluded that the water solubility of the substance was > 500 g/L - Conclusions:
- Based on the tests performed, it was concluded that the water solubility of the test substance at 20°C > 500 g/L.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Reaction products of diazotized 4-amino-6-[(4-aminophenyl)diazenyl]-3-[(4-aminophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid, coupled with benzene-1,3-diamine, sodium salts
- EC Number:
- 812-037-7
- Cas Number:
- 1793011-72-9
- Molecular formula:
- Unknown for all components
- IUPAC Name:
- Reaction products of diazotized 4-amino-6-[(4-aminophenyl)diazenyl]-3-[(4-aminophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid, coupled with benzene-1,3-diamine, sodium salts
- Test material form:
- solid
Constituent 1
Study design
- Analytical method:
- liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- < -4
- Temp.:
- 20 °C
- Remarks on result:
- other: pH value not specified in n-octanol
- Details on results:
- Since there was undissolved test item in both n-octanol phases, it was concluded that the content of test item dissolved in the n-octanol samples was < 50 mg/L. The water solubility of the test item was > 500 g/L. Based on the results for water solubility and n-octanol solubility, the Pow value of the test item is < 1x 10^-4. This corresponds with a log Pow value of < -4.
Applicant's summary and conclusion
- Conclusions:
- Since both the HPLC method and the shake flask method proved not applicable, the estimation method was applied for the determination of the partition coefficient (Pow) of the substance. The Pow value of the test item is < 1x10^-4. It corresponds with a log Pow value of < -4.
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