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EC number: 938-153-9 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 11 January 2012- 25 April 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study has been performed according to OECD and EC guidelines and according to the principles of GLP.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- (2008)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- (2004)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- (1996)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Remarks:
- Based on the calculated pKa values, the HPLC method was performed at pH 2 and at pH 8.
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Paz-E
- IUPAC Name:
- Paz-E
- Details on test material:
- Name of test material (as cited in study report): Paz-E
Substance type: mono-constituent
Physical state: white powder
Expiration date of the lot/batch: 25 November 2012
Storage condition of test material: At room temperature protected from light in desiccator (sample is hygroscopic)
Stability under test conditions: Stable
Constituent 1
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 5.2
- Temp.:
- 35 °C
- pH:
- 2
- Remarks on result:
- other: Pow= 1.6*10^5
- Type:
- log Pow
- Partition coefficient:
- 5.2
- Temp.:
- 35 °C
- pH:
- 8
- Remarks on result:
- other: Pow= 1.6*10^5
- Details on results:
- In each of the HPLC chromatograms (pH 2 and pH 8) of the test solutions, one test substance peak was observed. Individual results: see table below. Chromatograms and regression lines: see attachment.
Equation of the regression line at pH 2: log k` = 0.285 x log Pow – 0.623 (r = 0.98; n=12).
Equation of the regression line at pH 8: log k` = 0.282 x log Pow – 0.577 (r = 0.98; n=12).
Any other information on results incl. tables
Table: Test results Pow at pH 2
Substance |
tr,1 |
tr,2 |
mean tr |
log Pow |
Pow |
|
|
|
|
|
|
Formamide (t0) |
1.111 |
1.110 |
1.111 |
|
|
|
|
|
|
|
|
Nitrobenzene |
1.805 |
1.803 |
1.804 |
1.9 |
|
Toluene |
2.941 |
2.936 |
2.939 |
2.7 |
|
1,4-Dichlorobenzene |
3.805 |
3.797 |
3.801 |
3.4 |
|
Dibenzyl |
7.639 |
7.618 |
7.629 |
4.8 |
|
Fluoranthene |
10.832 |
10.799 |
10.816 |
5.1 |
|
4,4’-DDT |
15.663 |
15.624 |
15.644 |
6.5 |
|
|
|
|
|
|
|
Test substance |
9.191 |
9.196 |
9.194 |
5.2 |
1.6*105 |
|
|
|
|
|
|
Table: Test results Powat pH 8
Substance |
tr,1 |
tr,2 |
mean tr |
log Pow |
Pow |
|
|
|
|
|
|
Formamide (t0) |
1.073 |
1.073 |
1.073 |
|
|
|
|
|
|
|
|
Nitrobenzene |
1.793 |
1.795 |
1.794 |
1.9 |
|
Toluene |
3.064 |
3.068 |
3.066 |
2.7 |
|
1,4-Dichlorobenzene |
4.006 |
4.012 |
4.009 |
3.4 |
|
Dibenzyl |
8.266 |
8.281 |
8.274 |
4.8 |
|
Triphenylamine |
13.029 |
13.058 |
13.044 |
5.7 |
|
4,4’-DDT |
17.021 |
17.061 |
17.041 |
6.5 |
|
|
|
|
|
|
|
Test substance |
9.306 |
9.312 |
9.309 |
5.2 |
1.6*105 |
|
|
|
|
|
|
Applicant's summary and conclusion
- Conclusions:
- The log Pow of Paz-E at 35°C is 5.2 at both pH 2 and pH 8 (Pow= 1.6*10^5).
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