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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
14 Mar - 16 Mar 2022
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2022
Report date:
2022

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Version / remarks:
1996
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Version / remarks:
2008
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
July 1995
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
4-Amino-2-fluoro-benzamide
EC Number:
809-434-2
Cas Number:
609783-45-1
Molecular formula:
C7H7FN2O
IUPAC Name:
4-Amino-2-fluoro-benzamide

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
0.16
Temp.:
20 °C
pH:
6.26
Details on results:
The partition coefficient was calculated based on the results of the analytical determination following a shake flask test according to OECD Guideline 107. The test item content was determined via U-HPLC. The log Pow was calculated for each run. The difference be-tween the three different test variants was less than the given +/- 0.3 log units. Therefore, the study can be considered to be valid.
According to this study the logarithmic partition coefficient (n octanol/water) of the test item was determined to be 0.16 using the shake flask method at 20 °C ± 0.6°C.


Any other information on results incl. tables

 





























































Sample Descriptionabsolute amount test item measuredabsolute amount test item nominalcow/cwlog Po/w
 [mg][mg]  
19.749.221.45570.16
29.589.221.43310.16
36.115.991.44360.16
46.125.991.44210.16
512.1711.981.43670.16
612.0811.981.44070.16

Applicant's summary and conclusion

Conclusions:
According to this study the logarithmic partition coefficient (n octanol/water) of the test item was determined to be 0.16 using the shake flask method at 20 °C ± 0.6°C.
Executive summary:

Test Method: The partition coefficient of the test item was determined using the shake flask method.


Results: The partition coefficient of the test item was determined using the shake flask method. The partition coefficient was calculated based on the results of the analytical determination following a shake flask test according to OECD Guideline 107. The test item content was determined via U-HPLC. The log Pow was calculated for each run. The difference between the three different test variants was less than the given ± 0.3 log units. Therefore, the study can be considered to be valid. According to this study the logarithmic partition coefficient (n‑octanol/water) of the test item was determined to be 0.16 using the shake flask method at 20 °C ± 0.6°C.