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EC number: 287-267-9 | CAS number: 85455-32-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: well performed calculation based on reliable data
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: calculation
- Principles of method if other than guideline:
- Due to the very low solubilities in water and n-octanol of the substance the direct determination of the Partition Coefficient is not possible or leads to wrong results. Therefore a calculation of this endpoint is performed using the individual solubilities in water and n-octanol as described in the chapters 4.8 and 4.9
- GLP compliance:
- no
- Type of method:
- other: calculation
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Hydrogen hydroxy[2-hydroxy-3-[(2-hydroxy-3-nitrobenzylidene)amino]-5-nitrobenzenesulphonato(3-)]chromate(1-), compound with 3-[(2-ethylhexyl)oxy]propylamine (1:1)
- EC Number:
- 287-267-9
- EC Name:
- Hydrogen hydroxy[2-hydroxy-3-[(2-hydroxy-3-nitrobenzylidene)amino]-5-nitrobenzenesulphonato(3-)]chromate(1-), compound with 3-[(2-ethylhexyl)oxy]propylamine (1:1)
- Cas Number:
- 85455-32-9
- Molecular formula:
- C13H7CrN3O10S.C11H25NO.H
- IUPAC Name:
- Hydrogen hydroxy[2-hydroxy-3-[(2-hydroxy-3-nitrobenzy-lidene)amino]-5-nitrobenzenesulphonato(3-)]chromate(1-), compound with 3-[(2-ethylhexyl)oxy]propylamine (1:1)
- Details on test material:
- purity 94.3 %
Constituent 1
Study design
- Analytical method:
- other: The analytical methods for the underlying data are given in section 4.8 and 4.9
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 1.6
- Temp.:
- 23 °C
- pH:
- ca. 7
- Remarks on result:
- other: calculated from the individual solubilities in water and n-octanol
Any other information on results incl. tables
At room temperature (23-24 °C), the solubility in octanol was determined to be 551 mg/L (section 4.9) and the solubility in water was determined to be 14 mg/L (section 4.8), With the equation given below, the following values were calculated:
Pow = Solubility in octanol / solubility in water = 551 mg/L / 14 mg/L
Pow = 39.6
log Pow = 1.6
Applicant's summary and conclusion
- Conclusions:
- The test substance has a log Pow of 1.6 at23°C.
- Executive summary:
The log Pow of the test substance was calculated from the individual solubilities in water (14 mg/L) and in octanol (551 mg/L). The log Pow at 23. °C is 1.6.
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