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EC number: 947-943-2 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- from 27 February 2017 to 04 August 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- other: EU method A.24 (Partition coefficient (n-octanol / water), HPLC method)
- Version / remarks:
- 2016
- 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 (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Reaction products of Resin acids and Rosin acids, sodium salts and barium chloride
- Molecular formula:
- not applicable
- IUPAC Name:
- Reaction products of Resin acids and Rosin acids, sodium salts and barium chloride
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Appearance: Light tan powder
- Storage conditions: At room temperature
1
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.2
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Peak area= 54%.
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.4
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Peak area= 36%.
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.2
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Peak area= 4.2%.
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.9
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Peak area= 5.6%.
- Details on results:
- - Retention times of reference substances used for calibration: see table below;
- Details of fitted regression line: log k' = 0.332 x log Pow – 0.848 (r = 0.998, n=12);
- Graph of regression line and chromatograms: see illustration;
- The chromatogram of the test item showed one major peak and three small test item peaks;
- 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 |
Retention time (min) |
log Pow |
Pow |
Peak area |
||
RT1 |
RT2 |
mean |
||||
Formamide (t0) |
0.601 |
0.601 |
0.601 |
|
|
|
2-Butanone |
0.697 |
0.703 |
|
0.3 |
|
|
Nitrobenzene |
0.945 |
0.945 |
|
1.9 |
|
|
Bromobenzene |
1.554 |
1.551 |
|
3.0 |
|
|
Biphenyl |
2.590 |
2.582 |
|
4.0 |
|
|
Dibenzyl |
4.283 |
4.274 |
|
4.8 |
|
|
4,4’-DDT |
11.135 |
11.172 |
|
6.5 |
|
|
Test item – peak 1 |
1.414 |
1.414 |
1.414 |
2.9 |
8.8E2 |
5.6 |
Test item – peak 2 |
1.601 |
1.598 |
1.600 |
3.2 |
1.6E3 |
4.2 |
Test item – peak 3 |
1.765 |
1.764 |
1.765 |
3.4 |
2.6E3 |
36 |
Test item – peak 4 |
2.670 |
2.677 |
2.674 |
4.2 |
1.5E4 |
54 |
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 test item component with peak area of 54%, 36%, 4.2% and 5.6% was determined to be 4.2, 3.4, 3.2 and 2.9, resp.
- 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. Formamide was used as unretained substance. Duplicate injections of unretained substance, 6 reference substances and test item in an UPLC-PDA system. The mobile phase was 75/25 (v/v) methanol/buffer pH 7 and the wavelength of detection was 210 nm. The chromatogram of the test item showed four peaks.
Pow
log Pow
Peak area
(%)Test item – peak 1
8.8E2
2.9
5.6
Test item – peak 2
1.6E3
3.2
4.2
Test item – peak 3
2.6E3
3.4
36
Test item – peak 4
(Major component)1.5E4
4.2
54
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