Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
03 July 2018 - 12 October 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Cross-referenceopen allclose all
Reason / purpose:
reference to other study
Reason / purpose:
reference to other study
Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
03 July 2018 - 12 October 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose:
reference to other study
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
2016
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Version / remarks:
1998
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Key result
Water solubility:
2.63 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
14 g/L
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
pH:
9.3
Remarks on result:
other: mean of concentrations measured at all 3 sampling occasions
Details on results:
- No test item was detected in the pretreated sample from the blank water mixture.
- Concentration analysed after 24, 48 and 72 hours of stirring: 2.64 g/L, 2.62 g/L and 2.63 g/L, resp.
- Maximum difference meets the criterion of ≤ 15% (i.e. 0.66%)
- The mean of the three concentrations measured at 24, 48 and 72 hours was reported as the water solubility of the substance.
Conclusions:
The water solubility of the substance at 20°C was determined to be 2.63 g/L (flask method).

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2019

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:
2016
Deviations:
no
GLP compliance:
yes
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: particulate/powder
Details on test material:
Physical appearance: white powder
Storage conditions: at room temperature
Specific details on test material used for the study:
The substance was found to be surface active.

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
log Pow
Partition coefficient:
1.3
Temp.:
20 °C
Remarks on result:
other: pH cannot be determined for n-octanol phase; pH of water phase was 9.3
Key result
Type:
Pow
Partition coefficient:
18
Temp.:
20 °C
Remarks on result:
other: pH cannot be determined for n-octanol phase; pH of water phase was 9.3
Details on results:
Since the partition coefficient was determined by the estimation method, based on the solubility of the test item in the pure solvents, the n-octanol phase was not pre-saturared with water/aqueous buffer, and the water phase was not pre-saturated with n-octanol.

Any other information on results incl. tables

n-Octanol Solubility of the Test Item

Stirring time

[hours]

Analyzed concentration
[g/L]

Mean

[g/L]

Maximum difference
[%]

 

 

 

 

24

47.8

47.4

2.2

 

 

 

 

48

47.5

 

 

 

 

 

 

72

46.8

 

 

 

 

 

 

Water solubility of the test item = 2.63 g/L

Pow = n-octanol solubility / water solubility = 47.4 g/L / 2.63 g/L = 18.0

Log Pow = 1.26 (rounded to 1.3)

Applicant's summary and conclusion

Conclusions:
The n-octanol - water partition coefficient of the substance at 20°C was estimated to be 18 (log Pow = 1.3) based on the solubility of the substance in the pure solvents.