3,10-diamino-6,13-dichloro-2-((6-(((4-(1,1-dimethylethyl)phenyl)sulfonyl)amino)-2-naphthalenyl)sulfonyl)-4,11-triphenodioxazinedisulfonic acid, lithium potassium sodium salt

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

November 08, 2001 to jnuary 15, 2002

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to other study

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

adopted July 27, 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

adopted March 30, 1989.

Deviations:

no

GLP compliance:

yes

Type of method:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

< -3.6

Temp.:

20 °C

Remarks on result:

other: estimated from solubility in n-octanol and in water

Details on results:

The partition coefficient, log Pow, of BLUE GS 5664.80 was calculated to be:

log Pow = log [(< 1.5 mg/I) / (6.7 x 1000 mg/I)] < - 3.6

The partition coefficient log Pow for the test item was calculated from its solubility in n-octanol and in water according to the following equation:

Log Pestimate = log 10 [(Estimated Concentration in n-octanol)/(Saturated Concentration in water)]

The solubility in water was taken from the relevant study where it is stated to be 6.7 g/1 at 20 °C.

The solubility of BLUE GS 5664.80 in n-octanol was estimated under the present study to be <1.5 mg/L at 20°C:

Initial weight of test item (g)	n-octanol added (mL)	Dilution factor	Measured concentration (mg/L)	Solubility in n-octanol (mg/L)	Mean (mg/L)
0.71	20	2	<0.77*	<1.54	<1.5
0.86	20	2	<0.77*	<1.54	<1.5

* The measured concentration is below the smallest calibration point of 0.77136 μg/ml.

Conclusions:

The partition coefficient for the test item BLUE GS 5664.80 was calculated as Log Pow < - 3.6

Executive summary:

The partition coefficient n-octanol/water (log Kow) of BLUE GS 5664.80 has been determined in the current study performed following OECD TG 107 and 117 according to GLP.

In principle, the log Pow can be determined by the flask shaking method (log Pow between -2 and 4, OECD guideline no. 107) or alternatively, by the HPLC-method as described in OECD guideline no. 117 (log Pow between O and 6). Limitations and gaps of both methods are described in the guidelines.

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 BLUE GS 5664.80 was estimated using the solubility data in n-octanol (as obtained in the preliminary test) and in water. Concerning the solubility in water it is referred to other study.

The solubility in water was taken from the relevant study where it is stated to be 6.7 g/1 at 20 °C.

The solubility of BLUE GS 5664.80 in n-octanol was estimated under the present study to be <1.5 mg/L using HPLC method. Note that the measured concentration is below the smallest calibration point.

The partition coefficient for the test item BLUE GS 5664.80 was calculated as:

Log Pow = log 10 [(Estimated Concentration in n-octanol)/(Saturated Concentration in water)] = log [(< 1.5 mg/I) / (6.7 x 1000 mg/I)]    < - 3.6

Key value for chemical safety assessment

Log Kow (Log Pow):

-3.6

at the temperature of:

20 °C