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EC number: 944-815-8 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- 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:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Reaction product aqueous Phosphoric Acid, 1-Methoxypropan-2-ol and 4,4'-Isopropylidenediphenol-Epichlorohydrin
- EC Number:
- 944-815-8
- Molecular formula:
- Not possible to assign for a complex UVCB substance
- IUPAC Name:
- Reaction product aqueous Phosphoric Acid, 1-Methoxypropan-2-ol and 4,4'-Isopropylidenediphenol-Epichlorohydrin
- Test material form:
- liquid
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 2.7
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Log Kow representative of peak 8 (highest peak area at 30%)
- Type:
- log Pow
- Partition coefficient:
- 1.42
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Weighted average Log Kow value (including peaks contributing a peak area of 5% or more) as the substance constituents are considered homologous.
- Details on results:
- 18 constituent peaks were identified of which the Log Kow values could be determined for 14 (within the range of reference substances). Log Kow values ranged from < 1.1 to 5 (reference range 1.1 to 7.2).
Any other information on results incl. tables
Log Pow of the test item:
Substance |
Retention time (min) |
log Pow |
Pow |
Peak area |
||
tr,1 |
tr,2 |
mean |
||||
Formamide (t0) |
0.787 |
0.827 |
0.807 |
|
|
|
Benzylalcohol |
1.070 |
0.984 |
|
1.1 |
|
|
Nitrobenzene |
1.327 |
1.220 |
|
1.9 |
|
|
Toluene |
2.147 |
1.974 |
|
2.7 |
|
|
1,4-Dichlorobenzene |
2.783 |
2.562 |
|
3.4 |
|
|
Biphenyl |
3.760 |
3.464 |
|
4.0 |
|
|
Dibenzyl |
6.293 |
5.806 |
|
4.8 |
|
|
Triphenylamine |
11.575 |
10.689 |
|
5.7 |
|
|
4,4’-DDT |
16.557 |
15.320 |
|
6.5 |
|
|
Benzo[ghi]perylene |
22.159 |
22.293 |
|
7.2 |
|
|
Test item – peak 1 |
0.528 |
0.529 |
0.529 |
n.a.* |
n.a.* |
3.5 |
Test item – peak 2 |
0.608 |
0.606 |
0.607 |
n.a.* |
n.a.* |
17 |
Test item – peak 3 |
0.666 |
0.666 |
0.666 |
n.a.* |
n.a.* |
2.1 |
Test item – peak 4 |
0.711 |
0.715 |
0.713 |
n.a.* |
n.a.* |
5.1 |
Test item – peak 5 |
0.888 |
0.895 |
0.892 |
< 1.1# |
< 1.3 x 101 # |
5.6 |
Test item – peak 6 |
1.344 |
1.346 |
1.345 |
1.9 |
8.4 x 101 |
3.5 |
Test item – peak 7 |
1.438 |
1.437 |
1.438 |
2.1 |
1.4 x 102 |
0.62 |
Test item – peak 8 |
1.776 |
1.774 |
1.775 |
2.7 |
5.2 x 102 |
30 |
Test item – peak 9 |
1.889 |
1.888 |
1.889 |
2.9 |
7.3 x 102 |
1.6 |
Test item – peak 10 |
1.984 |
1.993 |
1.989 |
3.0 |
9.5 x 102 |
0.37 |
Test item – peak 11 |
2.172 |
2.164 |
2.168 |
3.2 |
1.5 x 103 |
0.79 |
Test item – peak 12 |
2.435 |
2.435 |
2.435 |
3.4 |
2.6 x 103 |
2.1 |
Test item – peak 13 |
2.741 |
2.741 |
2.741 |
3.6 |
4.3 x 103 |
4.5 |
Test item – peak 14 |
2.827 |
2.828 |
2.828 |
3.7 |
5.0 x 103 |
4.3 |
Test item – peak 15 |
3.400 |
3.473 |
3.437 |
4.0 |
1.1 x 104 |
2.6 |
Test item – peak 16 |
3.598 |
3.592 |
3.595 |
4.1 |
1.3 x 104 |
6.4 |
Test item – peak 17 |
4.266 |
4.260 |
4.263 |
4.4 |
2.6 x 104 |
4.0 |
Test item – peak 18 |
6.023 |
6.053 |
6.038 |
5.0 |
9.3 x 104 |
5.8 |
* The Log Kow and Kow values of these peaks could not be calculated because tr < tr of formamide (the lowest reference substance).
# tr < tr of benzylalcohol therefore Log Kow and Kow values of this peak are reported as < 1.1 and < 13
Applicant's summary and conclusion
- Conclusions:
- The substance is a UVCB and as such ranges of Log Kow values were provided. The weighted average of the Log Kow values of the various peaks representing at least 5% of the peak area was determined to be 1.42 at 20°C. When considering the peak with the largest peak area (30%), this provides a Log Kow value of 2.7.
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