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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
April – May, 2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
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:
8
Temp.:
25 °C
Remarks on result:
other: pH not measured during testing
Remarks:
LogPow value indicative, only – out of calibration range
Details on results:
In the conditions of the test, the chromatograms of GR-87-7596 show one peak at an average retention time of 92.317 minutes, corresponding to a partition coefficient (log value) of 8.0 which is an indicative value as the peak is outside the calibration domain.

The determination was performed at 25°C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Conclusions:
In the conditions of the test, the chromatograms of GR-87-7596 show one peak at an average retention time of 92.317 minutes, corresponding to a partition coefficient (log value) of 8.0*.

Therefore:

Partition coefficient n-octanol/water of GR-87-7596:
log Pow = 8.0*
* indicative value, peak is outside calibration domain
Executive summary:

The Partition Coefficient n-octanol/water of GR-87-7596 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.

 

The result is:

Partition coefficient n-octanol/water of GR-87-7596:     

log Pow= 8.0*   

* indicative value, peak is outside calibration domain

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
September, 2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
2004
Deviations:
no
GLP compliance:
no
Remarks:
internal study performed in the spirit of GLP
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
7.9
Temp.:
35 °C
Remarks on result:
other: pH not measured
Remarks:
LogPow value indicative, only – out of calibration range
Details on results:
The average retention time of GR-87-7596 is 71.092 minutes, corresponding to a partition coefficient (log value) of 7.9*.
*indicative value, peak is outside calibration domain

The determination was performed at 35 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Conclusions:
The average retention time of GR-87-7596 is 71.092 minutes, corresponding to a partition coefficient (log value) of 7.9*.

Therefore:
Partition coefficient n-octanol/water of GR-87-7596:
log Pow = 7.9*
* indicative value, peak is outside calibration domain
Executive summary:

The Partition Coefficient n-octanol/water of GR-87-7596 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.

 

The result is:

 

Partition coefficient n-octanol/water of GR-87-7596:

 

log Pow= 7.9*

* indicative value, peak is outside calibration domain

Description of key information

Key study, OECD 117, GLP, 2018:

The Partition Coefficient n-octanol/water of GR-87-7596 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.

 

The result is:

Partition coefficient n-octanol/water of GR-87-7596:     

log Pow= 8.0*   

* indicative value, peak is outside calibration domain

Supporting study, OECD 117, not GLP, 2017:

The Partition Coefficient n-octanol/water of GR-87-7596 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.

 

The result is:

 

Partition coefficient n-octanol/water of GR-87-7596:

 

log Pow= 7.9*

* indicative value, peak is outside calibration domain

Key value for chemical safety assessment

Log Kow (Log Pow):
8
at the temperature of:
25 °C

Additional information