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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:
2008-09-05 till 2009-01-15
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Guideline-conform study under GLP without deviations. Klimisch 2 only, since no pH data given in the report.
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 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
4
Temp.:
22 °C
pH:
> 6 - < 9
Details on results:
Values were calculated as the mean of 3 determinations (see free text field below).

Tab. 1: Results of reference substances

 Substances  Mean retention time (min) log Pow 
 Formamide  1.27
Toluene   1.98 2.7 
Ethyl benzene   2.34  3.2
 Biphenyle  2.88  4.0
 1,2,4-trichlorobenzene  3.28  4.2
 Phenanthrene  3.83  4.5
 Dibenzyle  4.09  4.8
 Triphenylamine  6.18 5.7 
 DDT  7.55  6.2

Values were calculated as the mean of 3 determinations.

Tab. 2: Log Pow values of 10-UNDECENOIC AClD obtained for 3 determinations:

Injection   Mean retention time (min)   log Pow 
 1  2.92 4.0 
 2  2.92  4.0
 3  2.92  4.0

They were calculated using the precedent regression equation with the corresponding retention time. The mean value of the log Pow is 4.0. This result issued from the 3 determinations is in the guideline tolerance for repeatability (+/- 0.1 log units.).

Conclusions:
The Partition Coefficient of 10-UNDECENOIC ACID log Pow is 4.0 (at 22 °C).
Executive summary:

The objective of this study was to determine the Partition Coefficient of the test item 10-UNDECENOIC AClD by applying the procedure described in the OECD Guideline 117 Partition Coefficient (noctanol/water), HPLC Method. Three replicate determinations (at 22 °C) show that for the Partition Coefficient of 10-UNDECENOIC ACID, the log Pow mean value is 4.0.


Log Pow 4.0 indicates a certain bioaccumulative potential of undecylenic acid in aquatic organisms. Log Pow 4.0 represents exactly the lower end of the log Pow range, which is relevant for classification of chronic aquatic toxicity properties according to GHS/CLP. Log Pow 4.0 also indicates a certain potential of the substance as to its adsorptive properties.

Description of key information

One study conducted in accordance with the OECD Test Guideline 117 (HPLC method) and GLP requirements is available. Three replicate determinations (at 22 °C) resulted in a mean log Pow value equal to 4.0.

Key value for chemical safety assessment

Log Kow (Log Pow):
4
at the temperature of:
20 °C

Additional information