2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methoxyphenyl)-3-oxobutyramide]

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)

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:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

comparable to guideline study with acceptable restrictions

Remarks:

test procedure similar to OECD 105

Reason / purpose for cross-reference:

reference to same study

Qualifier:

equivalent or similar to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

yes

Remarks:

modified taking into account the very low water solubility of the test substance

Type of method:

flask method

Water solubility:

2.6 µg/L

Temp.:

23 °C

pH:

ca. 7

Details on results:

The value given refers to room temperature (23-24 °C, see above) and represents the mean from 3 determinations (sigma = 0.1). Individual values were: 2.5, 2.6 and 2.6 µg/L.

Conclusions:

The test substance is practically insoluble in water (< 0.1 mg/L)

Executive summary:

The water solubility at 23-24 °C was 2.6 µg/L.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2007

Report date:

2007

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: ETAD Analytical Expert Group

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 octanol and calculation of log Pow with water solubility

Type of method:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methoxyphenyl)-3-oxobutyramide]

EC Number:

224-867-1

EC Name:

2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methoxyphenyl)-3-oxobutyramide]

Cas Number:

4531-49-1

Molecular formula:

C34H30Cl2N6O6

IUPAC Name:

2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[N-(2-methoxyphenyl)-3-oxobutanamide]

Test material form:

solid: nanoform

Study design

Analytical method:

photometric method

Results and discussion

Partition coefficient

Partition coefficient 1

Type:

Pow

Partition coefficient:

2.6

Temp.:

23 °C

pH:

ca. 7

Partition coefficient 2

Type:

log Pow

Partition coefficient:

0.4

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 6.8 µg/L at 23-24°C. This figure represents the mean of 3 determinations (range: 3.2 -10.8 µg/L, sigma = 3.8). The solubility in water was determined to be 2.6 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 = 6.8 µg/L / 2.6 µg/L

Pow = 2.6

log Pow = 0.4

 

Applicant's summary and conclusion

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 23-24 °C is 0.4.