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EC number: 228-787-8 | CAS number: 6358-85-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Remarks:
- Test procedure according to method of Analytical Expert Group ETAD (Ecological and Toxicological Association of Dyes and Organic Pigment Manufacturer)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 005
- Report date:
- 2005
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Analytical Expert Group of ETAD
- Version / remarks:
- method for substances with very low solubilty in both water and n-octanol
- Principles of method if other than guideline:
- Determination of solubility in n-octanol and calculation of log Pow with water solubility
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenylbutyramide]
- EC Number:
- 228-787-8
- EC Name:
- 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenylbutyramide]
- Cas Number:
- 6358-85-6
- Molecular formula:
- C32H26Cl2N6O4
- IUPAC Name:
- 2-[2-(3,3'-dichloro-4'-{2-[2-oxo-1-(phenylcarbamoyl)propyl]diazen-1-yl}-[1,1'-biphenyl]-4-yl)diazen-1-yl]-3-oxo-N-phenylbutanamide
- Test material form:
- solid: nanoform
Constituent 1
Study design
- Analytical method:
- photometric method
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 124.5
- Temp.:
- 23 °C
- pH:
- ca. 7
- Type:
- log Pow
- Partition coefficient:
- 2.1
- Temp.:
- 23 °C
- pH:
- ca. 7
- Details on results:
- Pow and log Pow were calculated from equilibrium concentrations in n-octanol (see below) and in water (see section 4.8)
Any other information on results incl. tables
The solubility in n-octanol was determined to be 49.8 µg/L at ambient temperature (23-24°C). This figure represents the mean of 5 determinations (range: 45.49-54.56 µg/L, sigma = 3.9). The solubility in water was determined to be 0.4 µg/L (section 4.8)
These solubilities (equilibrium concentrations considering the tests performed) are used to calculate Pow with the following equation:
Pow = equilibrium concentration in n-octanol / equilibrium concentration in water
Pow = 49.8 µg/L / 0.4 µg/L
Pow = 124.5
log Pow = 2.1
Applicant's summary and conclusion
- Conclusions:
- The test substance has a log pow of 2.1.
- Executive summary:
The log pow of the test substance was calculated from the equilibrium concentrations in water and in n-octanol. The log pow at 24 °C (24 -25 °C for water, 23 -24 °C for n-octanol) was 2.1.
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