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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:
2005
Report date:
2005

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Analytical Expert Group (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

Constituent 1
Chemical structure
Reference substance name:
2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxobutyramide]
EC Number:
226-789-3
EC Name:
2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxobutyramide]
Cas Number:
5468-75-7
Molecular formula:
C34H30Cl2N6O4
IUPAC Name:
2-[(1E)-2-{3,3'-dichloro-4'-[(1E)-2-{1-[(2-methylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl]-N-(2-methylphenyl)-3-oxobutanamide
Test material form:
solid: nanoform

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
3.3
Temp.:
24 °C
pH:
ca. 7
Type:
log Pow
Partition coefficient:
0.5
Temp.:
24 °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 2.6 µg/L at ambient temperature (24-25°C). This figure represents the mean of 5 determinations (range: 1.81 -3.59 µg/L, sigma = 0.76). The solubility in water was determined to be 0.8 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 octanol / equilibrium concentration in water

Pow = 2.6 µg/L / 0.8 µg/L

Pow = 3.3

log Pow = 0.5

Applicant's summary and conclusion

Conclusions:
The test substance has a log Pow of 0.5.
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 24-25 °C was 0.5.

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