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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:
4/4/2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The information is derived from a reliable non-GLP in-house study according to OECD TG 117 (HPLC).
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
1.9
Temp.:
25 °C
Remarks on result:
other: pH not provided in the study report
Details on results:
The calculated pKa (SPARC) of this substance is 4.34 and therefore it can be anticipated that the substance is almost fully dissociated in the water phase at pH7, resulting in some acidity in this phase.
Conclusions:
The partition coefficient of Fragarone has been determined as log P = 1.9 at 25°C in a study equivalent to OECD Guideline 117 (HPLC method) in a reliable non-GLP study.
Executive summary:

The partition coefficient of Fragarone has been determined as log P = 1.9 at 25°C in a study equivalent to OECD Guideline 117 (HPLC Method).

Description of key information

The partition coefficient of Fragarone has been determined as log P = 1.9 at 25°C in a study equivalent to OECD Guideline 117 (HPLC Method).

Key value for chemical safety assessment

Log Kow (Log Pow):
1.9
at the temperature of:
25 °C

Additional information