Dodeca (lithium, sodium)-2-({4-[4-(4-{bis[alkyl-(sulfonatoalkoxy)-4-({-sulfonato-[(substituted-phenyl)diazenyl]phenyl} diazenyl)anilino]-triazin-yl}-6-[alkyl-(sulfonatoalkoxy)-4-(sulfonato--[(substituted-phenyl)diazenyl]phenyl)diazenyl)anilino]piperazin-yl)-triazin-ylamino]-alkyl-5-(sulfonatoalkoxy)phenyl}diazenyl)-5-[(sulfonatophenyl)diazenyl]benzensulfonate

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

11 February 2011 – 04 May 2011

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: This study has been performed according to OECD and EC guidelines and in compliance with GLP principles.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2011

Report date:

2011

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Version / remarks:

(1995)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Version / remarks:

(Official Journal of the European Union no. L142, May 31, 2008)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Test material

Reference

Name:

Unnamed

Type:

Constituent

Details on test material:

- Name of test material (as cited in study report): E-BW102
- Description: Reddish brown powder
- Batch: MB-1
- Test substance storage: At room temperature protected from light
- Stability under storage conditions: Stable
- Expiry date: 23 December 2015

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Partition coefficient 1

Type:

Pow

Partition coefficient:

< 0.001

Temp.:

20 °C

pH:

7.1

Partition coefficient 2

Type:

log Pow

Partition coefficient:

< -3.2

Temp.:

20 °C

pH:

7.1

Details on results:

The log Pow values were within the criterion range of ± 0.3 log units.

No test substance was detected in the pretreated samples from the blank mixture.

Any other information on results incl. tables

The results of the shake flask method are given in the Table below:

Main study – P_ow of the test substance

Ratio n-octanol : buffer pH 7   [v:v]	Analysed concentration		Pow	Log Pow	pH
	n-octanol [g/l]	buffer pH 7 [g/l]	individual
1:1    1:2     2:1	< 0.000583 < 0.000587   < 0.000585 < 0.000592   < 0.000581 < 0.000593	0.683 0.697   0.510 0.541 0.959 1.00	< 8.54 x 10^-4 < 8.43 x 10^-4   < 1.15 x 10^-3 < 1.10 x 10^-3   < 5.84 x 10^-4 < 5.91 x 10^-4	< -3.1 < -3.1   < -2.9 < -3.0   < -3.2 < -3.2	7.1 7.1   7.1 7.1   7.1 7.1

The results on the recoveries of the test substance in the test samples are given in the Table below. The analysed concentration of the stock solution was 2.06 g/l. Based on this the nominal quantity of the test substance in the test samples was 4.11 mg.

Recoveries

Ratio n-octanol : buffer pH 7   [v:v]	Analysed quantity			Recovery     [%]
	n-octanol [mg]	buffer pH 7 [mg]	Total [mg]
1:1     1:2     2:1	< 0.00350 < 0.00352   < 0.00234 < 0.00237   < 0.00465 < 0.00475	4.10 4.18   4.08 4.32   3.98 4.01	4.10 4.18   4.09 4.33   3.99 4.02	100 102   99 105   97 98

Applicant's summary and conclusion

Conclusions:

The shake flask method was applied for the determination of the partition coefficient (Pow) of E-BW102. The Pow value of the test substance at neutral pH and 20°C was < 5.84 10^-4, which corresponds with a log Pow value of < -3.2.