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EC number: 619-264-9 | CAS number: 972-46-3
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 08 March 2017 - 25 April 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
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
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3-ethoxyandrosta-3,5-dien-17-one
- EC Number:
- 619-264-9
- Cas Number:
- 972-46-3
- Molecular formula:
- C21H30O2
- IUPAC Name:
- 3-ethoxyandrosta-3,5-dien-17-one
- Test material form:
- solid: particulate/powder
- Details on test material:
- Physical appearance: white crystalline powder
Test item storage: In refrigerator (2-8°C)
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 6.4
- Temp.:
- 20 °C
- Remarks on result:
- other: unbuffered mobile phase
- Details on results:
- - Retention times of reference substances used for calibration: see table below
- Details of fitted regression line: log k' = 0.292 x log Pow – 0.633 (r = 0.998, n=12)
- Graph of regression line and chromatograms: see attachment
- The chromatogram of the test item showed one substance peak
- Average retention data for test item: see table below
- The value of log Pow obtained from duplicate measurements was within ± 0.1 log units.
Any other information on results incl. tables
Table: Results Partition coefficient n-octanol-water (HPLC method)
Substance |
tr,1 [min] |
tr,2 [min] |
mean tr (n=2) |
log Pow |
Pow |
Formamide (t0) |
0.586 |
0.586 |
0.586 |
|
|
Biphenyl |
2.487 |
2.490 |
|
4.0 |
|
1,2,4-Trichlorobenzene |
2.861 |
2.867 |
|
4.2 |
|
Dibenzyl |
4.099 |
4.115 |
|
4.8 |
|
Triphenylamine |
7.488 |
7.519 |
|
5.7 |
|
4,4’-DDT |
10.708 |
10.862 |
|
6.5 |
|
Benzo[ghi]perylene |
17.353 |
17.532 |
|
7.2 |
|
Test item |
10.830 |
10.797 |
10.814 |
6.4 |
2.7E06 |
Remark: the log Pow values of the reference substances are according to OECD TG 117.
Applicant's summary and conclusion
- Conclusions:
- The log Pow of the substance was determined to be 6.4.
- Executive summary:
The log Pow of the substance was determined using the HPLC method in a GLP study according to EC A.8, OECD 117 and OPPTS 830.7570. The mobile phase was 75/25 (v/v) methanol/water and the wavelength of detection was 210 nm.
Formamide was used as unretained substance. Duplicate injections of unretained substance, reference substances and test item. The chromatogram of the test item
showed one test item peak. The corresponding log Pow was determined to be 6.4 (Pow= 2.7E06).
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