trisodium 3-amino-4-[4-[4-(2-(2-ethenylsulfonylethoxy)ethylamino)-6-fluoro-1,3,5-triazine-2-ylamino]-2-sulfophenylazo]-5-hydroxynaphthalene-2,7-disulfonate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Study period:

Start of experiment: 15 March 1999; Experiment end date - 17 March 1999; Study completion date - 28 April 1999.

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)

Version / remarks:

OECD 117, Directive 92/69/EC, A.8 Estimation from solubility in n-octanol and water

GLP compliance:

yes (incl. QA statement)

Type of method:

other: estimated from the solubility of test substance in water and n-octanol

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

The test article had the following physico-chemical properties:
Name: 40574/B
Batch no: WP 23/PP
Expiry date: 08 February 2006
Storage: At room temperature about 20 °C.

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

ca. -5

Temp.:

20 °C

Remarks on result:

other: pH not determinated

Based on the results of the pretest, neither the flask method nor the HPLC-method were applicable for the determination of the Log Po/w. Therefore, the value was estimated from the solubility of test substance in water and n-octanol.

Conclusions:

The partition coefficient, log Pow, of FAT 40'574/B was estimated to be - 5

Executive summary:

In the present study the n-octanol/water partition coefficient of FAT 40574/B was estimated using a calculation method according to EEC Directive 92/69. In the preliminary test, a very good solubility in water and a very poor solubility in n-octanol was found indicating a partition coefficient far 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 40574/B was estimated using the solubility data in n-octanol as obtained in the preliminary test. Based on the findings of this study, the partition coefficient, log Pow, of FAT 40574/B was estimated to be - 5.

Description of key information

The calculated partition coefficient of the test substance between n-octanol and aqueous phase is: log Pow = -5. A log Kow value of -1 is used in the assessment (minimum value for EUSES).

Key value for chemical safety assessment

Log Kow (Log Pow):

-5

at the temperature of:

20 °C

Additional information

In the present study the n-octanol/water partition coefficient of FAT 40574/B was estimated using a calculation method according to EEC Directive 92/69. In the preliminary test, a very good solubility in water and a very poor solubility in n-octanol was found indicating a partition coefficient far 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 40574/B was estimated using the solubility data in n-octanol as obtained in the preliminary test. Based on the findings of this study, the partition coefficient, log Pow, of FAT 40574/B was estimated to be - 5.