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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:
The study was conducted on 15 March 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
comparable to guideline study
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
not specified
GLP compliance:
no
Remarks:
This study was not conducted under a specific GLP program, this study was conducted following the principles of GLP by experienced and trained personnel using calibrated standards and instrumentation. Relevant SOPs were followed.
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: Sponsor lot/Batch number: 3434.15
- Expiration date of the lot/batch:
- Purity test date:

RADIOLABELLING INFORMATION (if applicable)
- Radiochemical purity:
- Specific activity:
- Locations of the label:
- Expiration date of radiochemical substance:

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material:
- Stability under test conditions:
- Solubility and stability of the test substance in the solvent/vehicle:
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium:

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing:
- Preliminary purification step (if any):
- Final dilution of a dissolved solid, stock liquid or gel:
- Final preparation of a solid:

FORM AS APPLIED IN THE TEST (if different from that of starting material)

OTHER SPECIFICS:
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 0.8 - < 1.4
Temp.:
25 °C
pH:
> 6.2 - < 6.5
Remarks on result:
other: temperature not reproted. Assumed to be room temperature i.e. 25°C

Concentration results of RD14153 in the aqueous and octanol phases are shown in Table 1 and mass balance and ratios are tabulated in Table 2. There appears to be a slight concentration dependency with the higher concentrations of material noted in the smaller liquid volumes.

Table 1: RD14153 concentration summary

 Run #  Aqueous phase     Octanol Phase   
   Sample size (mL)  Sample concn. (mg/mL)  Sample size (mL)  Sample concn. (mg.mL)
 1A  133  0.425  67  3.841
 1B  133  0.443  67  3.332
 2A  100  0.437  100  2.722
 2B  100  0.479  100  3.282
 3A  160  0.353  40  7.053
 3C  160  0.338  40  8.083

Table 2: Octanol/water ratio for RD14153

 Run #  RD14153 Mass Balance

 

 Ratio octanol/water

 Log octanol/water

 

 Added

 Dissolved

 

 

 1A

 0.563

 0.314

 9.0

 1.0

 1B

 0.631

 0.282

 7.5

 0.9

 2A

 0.515

 0.316

 6.2

 0.8

 2B

 0.515

 0.376

 6.8

 0.8

 3A

 0.512

 0.339

 20.0

 1.3

 3C

 0.513

 0.377

 23.9

 1.4

 Mean

 

 

 12.25

 1.02

 Std. Devn.

 

 

 7.66

 0.25

 

  The mean log Pow over six determinations is 1.0 ± 0.3.                                                                         

Conclusions:
The RD14153 material under test was analyzed per guidelines as set forth in OECD 107, partition coefficient, shake flask method. The mean log Pow for RD14153 is 1.0.
Executive summary:

Objective:

Determine the octanol – water partition coefficient of a newly developed rheological additive product called RD14153 for registration purposes.

Conclusion: The RD14153 material under test was analyzed per guidelines as set forth in OECD 107, partition coefficient, shake flask method. The mean log Pow for RD14153 is 1.0.

Description of key information

The RD14153 material under test was analyzed per guidelines as set forth in OECD 107, partition coefficient, shake flask method. The mean log Pow for RD14153 is 1.0.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.02

Additional information