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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:
12 July 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:
>= 5.7 - <= 6.1
Temp.:
25 °C
Remarks on result:
other: pH not provided in the study report. The pH is not considered critical in absence of acidic and base groups.
Details on results:
The pH is assessed not to be critical based on the absence of acidic and basic structural features of Geranyl Isobutyrate and in its molecular structure.
Conclusions:
The partition coefficient of Geranyl Isobutyrate has been determined as log P = 5.7-6.1 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 Geranyl Isobutyrate has been determined as log P = 5.7-6.1 at 25°C in a study equivalent to OECD Guideline 117 (HPLC method).

Description of key information

The partition coefficient of Geranyl Isobutyrate has been determined as log P = 5.7 and 6.1 at 25°C in a study equivalent to OECD Guideline 117 (HPLC method). The major peak is at 5.7 and the minor one at 6.1. Geranyl Isobutyrate (Cas no.2345 -26 -8) has a calculated log Kow of 5.38 and Citronellyl Isobutyrate (Cas no. 141 -16 -2) a log Kow of 5.5, using EpiSuite. Geranyl Isobutyrate has the higher concentration in this multiconstituent. Therefore it can be assumed that the measured 5.7 is for Geranyl Isobutyrate and being the major constituent this Kow value will be used for the risk assessment.

Key value for chemical safety assessment

Log Kow (Log Pow):
5.7
at the temperature of:
25 °C

Additional information