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EC number: 941-702-5 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 19 September 2015 to 28 November 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - 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 (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 3.3 - <= 5.8
- pH:
- 7
- Remarks on result:
- other: Temp. not specified in study report.
- Type:
- Pow
- Partition coefficient:
- >= 2 100 - <= 710 000
- pH:
- 7
- Remarks on result:
- other: Temp. not specified in study report.
- Details on results:
- In the chromatogram of the test solution, one major peak and one smaller test item peak were observed.The equation of the regression line was: log k’ = 0.332 x log Pow – 0.785 (r = 0.996, n = 12).
- Conclusions:
- The Pow and log Pow values of the test item at neutral pH was were:Log Pow: 3.3 – 5.8; Pow: 2.1e3 – 7.1e5
- Executive summary:
The purpose of the study was to determine the physico-chemical properties for Phenol, 1,1-dimethylpropyl derivs.
The study was performed to the following guidelines:
European Community (EC), EC no. 440/2008, Part A: Methods for the Determination of Physico- Chemical Properties, Guideline A.8: “Partition Coefficient”, Official Journal of the European Union no. L142, May 31, 2008.
Organization for Economic Co-operation and Development (OECD), OECD Guidelines for the Testing of Chemicals no. 117: "Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method", April 13, 2004.
United States Environmental Protection Agency (EPA), Product Properties Test Guidelines no. OPPTS 830.7570: "Partition Coefficient (n-octanol/water), Estimation by Liquid Chromatography", August 1996.
The HPLC method was applied for the determination of the partition coefficient (Pow) of Phenol, 1,1- dimethylpropyl derivs.
The Pow and log Pow values of the test item at neutral pH was were:
Pow
Log Pow
Area %
Test item – peak 1
Test item – peak 2
2.1 x 103
7.1 x 105
3.3
5.8
71
29
Reference
Pow of the test item
Substance |
tr,1 [min] |
tr,2 [min] |
Mean tr(n=2) |
Log Pow |
Pow |
Area % |
Formamide (t0) |
0.585 |
0.590 |
0.588 |
|
|
|
Nitrobenzene Bromobenzene 1,4-Dichlorobenzene Dibenzyl Triphenylamine 4,4’-DDT |
0.947 1.595 2.000 4.625 8.645 12.682 |
0.948 1.596 2.001 4.625 8.644 12.681 |
0.948 1.596 2.001 4.625 8.645 12.682 |
1.9 3.0 3.4 4.8 5.7 6.5 |
|
|
TI206832_peak1 TI206832_peak2 |
1.811 9.025 |
1.811 9.025 |
1.811 9.025 |
3.3 5.8 |
2.1 x 103 7.1 x 105 |
71 29 |
Description of key information
Key value determined using the HPLC method in a GLP accredited laboratory study performed in accordance with OECD Guideline 117, EU Method A.8 and US EPA Procedure OPPTS 830. 7570
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.8
- at the temperature of:
- 35 °C
Additional information
In the chromatogram of the test solution, one major peak and one smaller test item peak were observed.
The Pow and log Pow values of the test item at neutral pH was were:
| Pow | Log Pow | Area % |
Test item – peak 1 Test item – peak 2 | 2.1 x 103 7.1 x 105 | 3.3 5.8 | 71 29 |
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