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EC number: 801-072-3 | CAS number: 1052075-57-6
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- July 29, 2013 - November 7, 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study was performed in accordance with the EC A.8 and OECD 117 guidelines and complied with the principles of GLP.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
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:
- 2-[3-(9-butyl-1,1,3,3,5,5,7,7,9,9-decamethylpentasiloxanyl)propoxy]ethyl methacrylate
- EC Number:
- 801-072-3
- Cas Number:
- 1052075-57-6
- Molecular formula:
- C23H54O7Si5
- IUPAC Name:
- 2-[3-(9-butyl-1,1,3,3,5,5,7,7,9,9-decamethylpentasiloxanyl)propoxy]ethyl methacrylate
- Details on test material:
- - Name of test material (as cited in study report): KF-1622
- Description: Clear colourless liquid
- Storage condition of test material: In refrigerator (2-8°C) in the dark
- Expiration date of the lot/batch: May 17, 2014
Constituent 1
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- > 7.2
- Temp.:
- 35 °C
- Remarks on result:
- other: Non-buffered mobile phase
- Type:
- Pow
- Partition coefficient:
- > 16 000 000
- Temp.:
- 35 °C
- Details on results:
- - In the chromatogram of the test solution, one major peak and 3 smaller test substance peaks were observed.
- For the major peak (Peak area 98.5%) a retention time of 29.19 minutes was observed.
- Under the same analytical conditions, the retention time of Benzo[ghi]perylene (log Pow = 7.2) was 18.23 minutes.
Any other information on results incl. tables
Results HPLC method
Substance |
tr,1 |
tr,2 |
mean tr |
log Pow |
Pow |
Area |
4,4’-DDT |
11.402 |
11.464 |
11.433 |
6.5 |
|
|
Benzo[ghi]perylene |
18.203 |
18.249 |
18.226 |
7.2 |
|
|
|
|
|
|
|
|
|
Test substance_peak 1 |
29.084 |
29.074 |
29.079 |
> 7.2 |
1.6 x 107 |
0.2 |
Test substance_peak 2 |
29.191 |
29.182 |
29.187 |
> 7.2 |
1.6 x 107 |
98.5 |
Test substance_peak 3 |
29.388 |
29.376 |
29.382 |
> 7.2 |
1.6 x 107 |
1.0 |
Test substance_peak 4 |
29.584 |
29.569 |
29.577 |
> 7.2 |
1.6 x 107 |
0.3 |
Remarks:
- Log Pow value for Benzo[ghi]perylene according to Verschueren, K. (1996) Handbook of Environmental Data on Organic Chemicals, 3rd ed. Ultra Scientific, North Kingstown, USA
- Log Pow value for 4,4’-DDT according to OECD 117
Applicant's summary and conclusion
- Conclusions:
- The log Pow of the substance has been determined as >7.2 using the HPLC method (GLP-compliant study in accordance with EC A.8, OECD 117 and EPA OPPTS 830.7570). The HPLC chromatogram of the test substance showed one major (98.5% area) and 3 smaller peaks; all with a retention time > reference substance Benzo[ghi]perylene (log Pow of 7.2). It was therefore concluded that the log Pow of the substance is >7.2.
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