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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 9 June 2005 to 13 September 2005
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to same 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)
Deviations:
yes
Remarks:
see below
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
yes
Remarks:
see below
Principles of method if other than guideline:
In the preliminary test, a very poor solubility in water and a good solubility in n-octanol were found indicating a partition coefficient of above 6. Hence, a main test according to OECD Guideline 107/117 (either HPLC/GC or flask shaking method) could not be applied. Therefore the partition coefficient of iron oxide isostearate was estimated using the solubility data in n-octanol from the pre-test and in water from the main test (see water solubility section).
GLP compliance:
yes (incl. QA statement)
Type of method:
other: partition coefficient estimated from solubilities in n-octanol and water
Partition coefficient type:
octanol-water
Analytical method:
other: AAS
Key result
Type:
log Pow
Partition coefficient:
6.3
Temp.:
21 °C
Remarks on result:
other: pH not available
Details on results:
The n-octanol solubility of iron oxide isostearate was determined to be 288.7 mg/mL.
As water solubility is 0.13 mg/L, the partition coefficient (LogPow) of iron oxide isostearate was calculated from the individual solubilities in n-octanol and in water, respectively, to be:
LogPow = Log10 (288673.9 mg/L / 0.13 mg/L) = 6.3
Conclusions:
The partition coefficient (LogPow) of iron oxide isostearate is 6.3.
Executive summary:

The partition coefficient of iron oxide isostearate was estimated using the solubility data in n-octanol and in water (as test according to OECD Guideline 107/117 could not be applied).

The partition coefficient LogPow of iron oxide isostearate is 6.3.

Description of key information

The partition coefficient LogPow of iron oxide isostearate is 6.3.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.3
at the temperature of:
21 °C

Additional information

A GLP experimental study scored as Klimisch 1, calculating the n-octanol/water partition coefficient from solubility data in n-octanol and in water, is selected as a key study and gives a n-octanol/water partition coefficient of 6.3.