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Physical & Chemical properties

Partition coefficient

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Administrative data

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
1998
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
GLP compliance:
yes (incl. QA statement)
Remarks:
Swiss GLP
Type of method:
calculation method (fragments)
Remarks:
calculation method according to EEC Directive 92/69 and OECD Guideline 107
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: TVR 50
- Expiration date of the lot/batch: September 01, 2004

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature at about 20 °C.
Analytical method:
other: Spectrophotometric
Type:
log Pow
Partition coefficient:
<= -4.5
Temp.:
20 °C
pH:
ca. 7
Remarks on result:
other: In the present study the n-octanol/water partition coefficient of FAT 40'571/A was estimated using a calculation method according to EEC Directive 92/69 and OECD Guideline 107.
Details on results:
In the present study, the n-octanol solubility of FAT 40'571/A was determined to be <10.99 µg/ml, which is below the smallest calibration point of 5.495. The samples were diluted in a 1:1 ratio.
During this study the water solubility of the test item was estimated to be at least 325.19 g/l. This value was used for the calculation of the log Pow.

log POW = log (<10.99 µg/ml/ 325.19 * 1000 µg/ml) = ≤ -4.5
Conclusions:
log Pow of FAT 40'571/A ≤ -4.5
Executive summary:

In the present study the n-octanol/water partition coefficient of FAT 40'571/A was estimated using a calculation method according to EEC Directive 92/69 and OECD Guideline 107. 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 EEC Directive 92/69, OECD Guidelines 107 and 117 (either HPLC or flask shaking method) could not be applied. Therefore the partition coefficient of FAT 40'571/A was estimated using the solubility data in n-octanol and in water.

The partition coefficient, log Pow, of FAT 40'571/A was estimated to be: log P o w <- 4.5.

Description of key information

The n-octanol/water partition coefficient log Pow of Reactive Brown 49 was estimated using a calculation method is <- 4.5

Key value for chemical safety assessment

Log Kow (Log Pow):
-4.5
at the temperature of:
20 °C

Additional information





















In the present study the n-octanol/water partition coefficient of Reactive Brown 49 was estimated using a calculation method according to EEC Directive 92/69 and OECD Guideline 107. 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 EEC Directive 92/69, OECD Guidelines 107 and 117 (either HPLC or flask shaking method) could not be applied. Therefore, the partition coefficient of Reactive Brown 49 was estimated using the solubility data in n-octanol and in water.


 


The partition coefficient, log Pow, of Reactive Brown 49 was estimated to be: log Pow <- 4.5.