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Physical & Chemical properties

Partition coefficient

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Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
July 17, 2002 - August 16, 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
Qualifier:
according to guideline
Guideline:
other: EEC Directive 92169, Part A, Methods for the determination of physico-chemical properties, 4.8 "Partition coefficient", EEC Publication No. L383A
Version / remarks:
December 1992.
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:
< -5.4
Temp.:
20 °C
Remarks on result:
other: estimated from solubility in n-octanol and in water
Details on results:
ln conclusion, the partition coefficient, log Pow, of RED RWa 4565 was calculated to be:

log Pow = log [(< 1.3712 mg/I) / (>362.6 x 1000 mg/I)] < - 5.4

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

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

The solubility of RED RWa 4565 in n-octanol was determined under the present study number. The solubility in water was taken from the RCC study 843032 where it is stated to be 362.6 g/l at room temperature.

Results obtained for the solubility of RED RWa 4565 in n-octanol

 lnitial Weight

of Test ltem (g)

 n-octanol added (ml)

Dilution factor

 Area Counts

 Measured Concentration (mg/l)

 Solubility in n-octanol (mg/l)

 Mean (mg/l)

0.87

20 

2

0

< 0.6856*

< 1.3712

 

 0.67

20

 2

0

< 0.6856*

< 1.3712

< 1.3712

* The concentrations in the test item samples was below the concentration of the smallest calibration point of 0.6856 µg/ml.

Conclusions:
The partition coefficient for the test item RED RWa 4565 was calculated as Log Pow < - 5.4 (based on solubility measured in water and octanol).
Executive summary:

The partition coefficient n-octanol/water (log Kow) of RED RWa 4565 has been determined in the current study performed following OECD TG 107 and 117 according to GLP.

ln 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 HPlO-method as described in OECD guideline no. 117 (log Pow between 0 and 6). Limitations and gaps of both methods are described in the guidelines.

ln 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 1071117 (either HPLC or flask shaking method) could not be applied. Therefore the partition coefficient of RED RWa 4565 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 RCC study 843032.

The solubility in water was taken from the relevant study where it is stated to be >362.6 g/1 at 20 °C.

The solubility of RED RWa 4565 in n-octanol was determined under the present study to be <1.3712 mg/L using HPLC method.

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

Log Pow = log 10 [(Saturation Concentration in n-octanol)/(Concentration in water)] = log [(< 1.3712 mg/I) / (>362.6 x 1000 mg/I)]    < - 5.4

Description of key information

The partition coefficient for the test item RED RWa 4565 was calculated as Log Pow < - 5.4 (based on solubility measured in water and octanol).

Key value for chemical safety assessment

Log Kow (Log Pow):
-5.4
at the temperature of:
20 °C

Additional information