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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:
2012 December
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Guideline study, however limited information given on methodolgy and no purity or GLP data.
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
not specified
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
9.8
Remarks on result:
other: weighted average
Details on results:
See attached report below

Following the notification letter dated December 14 2012 (communication number : CCH-D-0000002978-57-01/D), a new evaluation of the octanol/water partition coefficient has been launched for the substance CAS n° 68855 -45 -8, EC n° 272-486-4.

In this new test :

-         the tested substance was the same as the substance described in section 1 and was consistent with the substance described in the Substance Identity Profile that has been circulated within the SIEF and agreed.

-         the used method remained an HPLC method (OECD 117)

-         the major difference came from the use of 2 additional time retention calibrants of fatty acid methyl esters type : Eicosanoic acid methyl ester and docosanoic acid methyl ester.

The Log Kow obtained for these 2 standards (respectively 9.3 and 10.2) were used to extend the calibration range to upper values.

Based on these testing conditions, the study has been evaluated as reliable (Klimish code 2).

A log Kow of 9.8 has been found for the tested substance. This value is within the calibration range and consequently can be considered as reliable.

This value of 9.8 is not significantly different from the value obtained in the previous study (10.1) with only polycyclic aromatic hydrocarbons as time retention calibrants.

As a consequence, this new log Kow value has no impact on the risk assessment previously made.

Conclusions:
The octanol/water partition coefficient (log Kow) of the substance EC n° 272-486-4 has been evaluated using the HPLC method (OECD 117). Log Kow (weighted average) of 9.8 has been calculated using polycyclic aromatic hydrocarbons and fatty acid methyl esters as retention time calibrants. This value of 9.8 is within the calibration range [3.6 – 10.2].
Executive summary:

The octanol/water partition coefficient (log Kow) of the substance CAS n° 68855 -45 -8, EC n° 272-486-4 has been evaluated using the HPLC method (OECD 117). Log Kow (weighted average) of 9.8 has been calculated using polycyclic aromatic hydrocarbons and fatty acid methyl esters as retention time calibrants. This value is within the calibration range and consequently can be considered as reliable.

This value of 9.8 is not significantly different from the value obtained in the previous study (Log Kow 10.1, Dutta 2010) with only polycyclic aromatic hydrocarbons as time retention calibrants.

As a consequence, this new log Kow value has no impact on the risk assessment previously made.

Description of key information

The octanol/water partition coefficient (log Kow) of the substance EC 701 -249 -4 has been evaluated using the HPLC method (OECD 117). Log Kow (weighted average) of 9.8 has been calculated using polycyclic aromatic hydrocarbons and fatty acid methyl esters as retention time calibrants. This value of 9.8 is within the calibration range [3.6 – 10.2].

Key value for chemical safety assessment

Log Kow (Log Pow):
9.8

Additional information

A reliability rating of 2 was assigned to the key study (Dutta, 2012), according to the criteria of Klimisch, 1997 as the information was obtained from an in house study conducted to the OECD 117 method, however there was limited information on methods and no data on purity or GLP.