Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
28 September - 05 October
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report Date:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Version / remarks:
Regulation (EC) No 440/2008
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
impurity
Test material form:
solid: particulate/powder
Details on test material:
Batch No.: 10004539
Storage at room temperature approx. 20°C

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
-1.07
Temp.:
21.5 °C
pH:
7
Remarks on result:
other: The determined log POW values were in the range of -1.09 to -1.06 for all three volume ratios and all replicates. Std. deviation from three determinations: ± 0.01. The temperature was in the range of 21-22°C.
Details on results:
Calculation method
The log POW of Adenosine is given as -1.1 as reported in EPI Suite™ v4.11 (exper. database match by Hansch, C et al. (1995) and Pomona (1987)).

Flask method
The determined log POW values were in the range of -1.09 to -1.06 for all three volume ratios and all replicates. For each replicate, the mass balance calculation showed that the experiment was reliably conducted, as the recovery rates ranged from 102% to 104%. The determined log POW value of Adenosine (CAS no. 58-61-7) at pH 7.0 is -1.07 with a standard deviation of ± 0.01.
The log Pow of the test item is given as the mean value of all measurements. Detailed results are given in the table in the field 'Any other information on results incl. tables'.

Any other information on results incl. tables

Ratio n-octanol:water (v:v)

  Analysed concentration

n-octanol (mg/L)

  Analysed concentration water (mg/L)      Pow   log Pow    pH
 1:4   179   2034   0.0880  -1.06   7.0
 1:4   169   2016   0.0837  -1.08   7.0
 1:9   178   2032   0.0875  -1.06   7.0
 1:9   174   2045   0.0850  -1.07   7.0
 1:19   170   2071   0.0820  -1.09

  7.0

1:19   177   2080 0.0851  -1.07   7.0
 Mean        -1.07  

Further remarks:

The result obtained in this study is in very good accordance with the reported log POW value of -1.1 as given in EPI Suite™ v4.11 (exper. database match by Hansch, C et al. (1995) and Pomona (1987)).

Applicant's summary and conclusion

Conclusions:
The shake flask method according to TG OECD 107 was applied for the determination of the log Pow of Adenosine (CAS 58-61-7). The determined log Pow value at pH 7.0 is -1.07 with a standard deviation of ± 0.01.
Executive summary:

The log POW of the test item Adenosine (CAS no. 58-61-7) was determined according to TG OECD 107.

Aqueous phosphate buffer at pH 7.0, 1-octanol and the test item were equilibrated in test vessels by shaking, applying three different volume ratios of the two solvents. Subsequently, the test item concentrations were determined in both solvent phases.

The determined log POW values were in the range of -1.09 to -1.06 for all three volume ratios and all replicates. For each replicate, the mass balance calculation showed that the experiment was reliably conducted, as the recovery rates ranged from 102% to 104%.

The determined log POW value of Adenosine at pH 7.0 is -1.07 with a standard deviation of ± 0.01.

The validity criterion was fulfilled.