Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-[(2-cyanoethyl)[2-(2-hydroxyethoxy)ethyl]amino]-1,3,5-triazine-4,2-diyl]imino]]bis[benzene-1,4-disulphonate]

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

March from the 14th to the 26th, 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

test procedure in accordance with generally accepted scientific standards and described in sufficient detail

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

1995

Qualifier:

according to guideline

Guideline:

other: OECD Guideline 105 (Water solubility)

Version / remarks:

1995

GLP compliance:

yes (incl. QA statement)

Type of method:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

Pow

Partition coefficient:

< 0

Temp.:

20 °C

Remarks on result:

other: estimation based on individual solubilities

Type:

log Pow

Partition coefficient:

< -3.78

Temp.:

20 °C

Remarks on result:

other: estimation based on individual solubilities

Details on results:

As the test item could not be detected in flasks 1a, 2a and 3a, it can only be stated that the solubility of the test item in 1-octanol is less than the Limit of Quantification (LOQ), i.e. less than 168.84 mg/l.
The water solubility of the test item was determined to be 1006.4 g/l at 20 °C.
The recovery rate of the measured standard solutions was in the range from 99.7 % to 103.2 %, which shows a good accuracy of the analytical method.

PRELIMINARY TEST
The preliminary test at room temperature showed that the 1-octanol solubility of the test item was < 0.360 g/l.
Considering the values of the water solubility determined in specific project (see IUCLID section 4.8), i.e. 1006.4 g/l at 20 °C of the test item, and the estimated solubility in octanol from thepreliminary test, the logarithm to base 10 of the partition coefficient can be supposed to be below -2.
Based on the low value, the log Pow can be estimated from the individual solubilities in water and 1-octanol. Therefore, the determination of the log Pow was carried out by determining the solubility of the test item in 1-octanol by means of the flask method, which was also used for the determination of the water solubility.

Conclusions:

log Pow < -3.78 at 20 °C

Executive summary:

The solubility of the test item in 1-octanol at 20 °C was determined in the style of OECD Test Guideline 105 (1995) and Regulation EC No. 440/2008 Method A.6.

The preliminary test at room temperature showed that the 1-octanol solubility of the test item was < 0.360 g/l. Considering the values of the water solubility determined in specific project (see IUCLID section 4.8), i.e. 1006.4 g/l at 20 °C of the test item, and the estimated solubility in octanol from the preliminary test, the logarithm to base 10 of the partition coefficient can be supposed to be below -2.

Therefore, the log Pow can be estimated from the individual solubilities in water and 1-octanol.

As the test item could not be detected in flasks 1a, 2a and 3a, it can only be stated that the solubility of the test item in 1-octanol is less than the Limit of Quantification (LOQ), i.e. less than 168.84 mg/l. The water solubility of the test item was determined to be 1006.4 g/l at 20 °C.

The recovery rate of the measured standard solutions was in the range from 99.7 % to 103.2 %, which shows a good accuracy of the analytical method.

The estimated Pow from the individual solubilities resutled to be lower than 1.68 x 10^-4, corresponding to a log Pow lower than -3.78.

Conclusion

log Pow < -3.78 at 20 °C

Description of key information

log Pow < -3.78 at 20 °C

Additional information

OECD 107 and 105 - estimation based on individual solubilities