Registration Dossier
Registration Dossier
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EC number: 700-093-4 | CAS number: 176969-34-9
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 008
- Report date:
- 2008
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Test material form:
- solid: particulate/powder
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.39
- Temp.:
- 20 °C
- pH:
- 2
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.39
- Temp.:
- 20 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 0.64
- Temp.:
- 20 °C
- Remarks on result:
- other: calculated value by ACD/Labs 6.00 for the neutral form
Any other information on results incl. tables
Discussion and Conclusions
The partition coefficient n-octanol/water of the test item Reg.No. 5069089 (Metabolite M700F001 of BAS 700 F) was determined according to EC method A.8 (92/69/EEC), and OECD guideline 117 (HPLC-Method).
The regression line of log Pow = f(log k) of 6 reference items was used to determine the log Pow - value of the test item by linear interpolation.
CI8 - RP-HPLC at pH values of 2 and 7 with two different effluent mixtures was used to obtain the k values at 20°C.
The mean retention times of the test item Reg.No. 5069089 received with the mobile phases were all prior to the mean retention times of 2-butanone with a
log Pow of 0.39 (lowest log Pow value of the reference items used for the calibration taken from the table of recommended reference items given in
OECD guideline 117). Therefore the log Pow of the test item Reg.No. 5069089 was determined to be < 0.39 at pH values of 2 and 7.
Furthermore, the calculation ofthe log P ow by ACD/Labs 6.00 Software from ACD Company given by the sponsor resulted in a log Pow of 0.64 ± 0.56 for the neutral form.
Compared with this calculated value assessed with the aid of ACD/Labs 6.00 Software from ACD Company the results are in agreement.
Applicant's summary and conclusion
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