Tetrasodium [2-({4-fluoro-6-[(2-{[4-fluoro-6-({5-(hydroxykappaO)-6-[(2-{[2-(hydroxy-kappaO)-5-sulfophenyl] diazenyl-kappaN1}-4,5-dimethoxyphenyl) diazenyl-kappaN2]-7-sulfo-2-naphthyl} amino)-1,3,5-triazin-2-yl] amino} propyl) amino]-1,3,5-triazin-2-yl} amino) benzene-1,4- disulfonato(6-)] cuprate(4-)

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experiment start date - 31 May 2006; Experiment completion date - 03 June 2006; Study completion - 20 July 2006

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Deviations:

no

Principles of method if other than guideline:

In the preliminary test, a very good solubility in water and a poor solubility in n-octanol were found indicating a partition coefficient below -2. Hence, a main test according to OECD Guidelines 107/117 (either HPLC or flask shaking method) could not be applied. Therefore, the partition coefficient of FAT 40825/A was estimated using the solubility data in n-octanol from the pre-test and the water from the main test.

GLP compliance:

yes (incl. QA statement)

Type of method:

calculation method (fragments)

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Identity: FAT 40825/A
Batch number: CHU 297 / BOP 04/05
Purity: Organic part (Na-salt): approx. 83.7 %; All coloured components: approx. 80.54 %; Main component: approx. 59.1 %.
Appearance: Solid, black powder
Storage conditions: At room temperature at about 20 °C
Expiration date: December 31, 2010

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

<= -4.7

Temp.:

20 °C

Remarks on result:

other: Calculated from the individual solubilities in n-octanol and in water

Conclusions:

The partition coefficient, log POW, of FAT 40825/A was calculated from the individual solubility in n-octanol and in water, respectively, to be: ≤-4.7.

Executive summary:

Neither the HPLC-method according to OECD Guideline No. 117 nor the flask-shaking method according to OECD Guideline No. 107 were applicable for the determination of the partition coefficient of FAT 40825/A. Thus, the log P_OW-value for the test item was estimated from its solubility in n-octanol and in water, respectively. In the present study, the n-octanol solubility of FAT 40825/A was determined to be about 6.6 µg/ml. The water solubility of FAT 40825/A was found to be at least 341 g/l at room temperature. In conclusion, the partition coefficient, log P_OW, of FAT 40825/A was calculated from the individual solubility in n-octanol and in water, respectively, to be: ≤-4.7.

Description of key information

The partition coefficient, log POW, of FAT 40825/A was calculated from the individual solubilities in n-octanol and in water, respectively, to be:<= -4.7.

Key value for chemical safety assessment

Log Kow (Log Pow):

-4.7

at the temperature of:

20 °C

Additional information

Neither the HPLC-method according to OECD Guideline No. 117 nor the flask-shaking method according to OECD Guideline No. 107 were applicable for the determination of the partition coefficient of FAT 40825/A. Thus, the log P_OW-value for the test item was estimated from its solubility in n-octanol and in water, respectively. In the present study, the n-octanol solubility of FAT 40825/A was determined to be about 6.6 µg/ml. The water solubility of FAT 40825/A was found to be at least 341 g/l at room temperature. In conclusion, the partition coefficient, log P_OW, of FAT 40825/A was calculated from the individual solubilities in n-octanol and in water, respectively, to be:≤ -4.7.