Registration Dossier
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EC number: 222-904-6 | CAS number: 3658-48-8
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 8 - 9 Feb 2018
- 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 guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- April 13, 2004
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Bis(2-ethylhexyl) phosphonate
- EC Number:
- 222-904-6
- EC Name:
- Bis(2-ethylhexyl) phosphonate
- Cas Number:
- 3658-48-8
- Molecular formula:
- C16H35O3P
- IUPAC Name:
- bis(2-ethylhexyl) phosphonate
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 25 °C
- Remarks on result:
- other: pH was not measured.
Any other information on results incl. tables
Preliminary results
The estimated values of log Pow for the test item with the partition coefficient calculation software [ClogP v4.0 (BioByte Corp.) and Kowwin v1.68 (U.S. Environmental Protection Agency)] were 6.60 and 5.60, respectively.
Measurement results
|
Name |
tR |
k |
log k |
log Pow |
Reference items |
Thiourea |
0.89 |
t0 = 0.89 |
||
0.89 |
|||||
Isopropylbenzene |
3.68 |
3.135 |
0.496 |
3.7 |
|
3.68 |
3.135 |
0.496 |
3.7 |
||
1,2,4-Trichlorobenzene |
4.62 |
4.191 |
0.622 |
4.2 |
|
4.62 |
4.191 |
0.622 |
4.2 |
||
n-Buthylbenzene |
6.02 |
5.764 |
0.761 |
4.6 |
|
6.02 |
5.764 |
0.761 |
4.6 |
||
Fluoranthene |
8.77 |
8.854 |
0.947 |
5.1 |
|
8.77 |
8.854 |
0.947 |
5.1 |
||
Triphenylamine |
11.83 |
12.292 |
1.090 |
5.7 |
|
11.84 |
12.303 |
1.090 |
5.7 |
||
DDT |
15.00 |
15.854 |
1.200 |
6.5 |
|
15.00 |
15.854 |
1.200 |
6.5 |
||
Test item |
19.78 |
- |
- |
>6.5 |
|
19.78 |
- |
- |
>6.5 |
||
Average: |
>6.5 |
||||
Calibration curve for partition coefficient by HPLC method:
log Pow = 3.688 * log k + 1.822
r = 0.987
Results and discussion
log Pow of test item > 6.5 at 25 °C
The log Pow of test item was not calculated using the regression equation of regression line and it was regarded as larger than 6.5 because the retention time of test item was larger than that of DDT (log Pow = 6.5).
Applicant's summary and conclusion
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