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EC number: 500-011-5 | CAS number: 9003-80-9
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:
- 07 September 2015 to 10 December 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:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- pH:
- 7
- Remarks on result:
- other: Temp. not specified
- Type:
- Pow
- Partition coefficient:
- > 2 800 000
- pH:
- 7
- Remarks on result:
- other: Temp. not specified
- Details on results:
- Results detailed in table form - see Any other information
- Conclusions:
- 70% log Pow >6.5
- Executive summary:
The purpose of the study was to determine the physico-chemical properties for Formaldehyde, oligomeric reaction products with acetone and diphenylamine.
The study was performed to the following guidelines, in compliance with GLP:
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 Formaldehyde, oligomeric reaction products with acetone and diphenylamine.
70% log Pow >6.5
Reference
HPLC Method
In the chromatogram of the test solution, several test item peaks were observed. Peaks with an area percentage above 1% are reported.
The equation of the regression line was: log k’ = 0.178 x log Pow– 0.097 (r = 0.97, n = 12).
Powof the test item
Substance |
tr1 [min] |
tr2 [min] |
Mean tr (n=2) |
Log Pow |
Pow |
Area % |
Formamide (t0) |
0.478 |
0.477 |
0.478 |
|
|
|
Nitrobenzene |
1.230 |
1.224 |
1.227 |
1.9 |
|
|
1,4-Dichlorobenzene |
2.377 |
2.382 |
2.380 |
3.4 |
|
|
Biphenyl |
2.319 |
2.326 |
2.323 |
4.0 |
|
|
Dibenzyl |
3.378 |
3.397 |
2.288 |
4.8 |
|
|
Triphenylamine |
3.791 |
3.779 |
3.785 |
5.7 |
|
|
4,4’-DDT |
6.272 |
6.291 |
6.282 |
6.5 |
|
|
TS206534_peak2 |
0.483 |
0.476 |
0.480 |
<1.9 |
<7.9 x 101 |
1.2 |
TS206534_peak14 |
2.148 |
2.145 |
2.147 |
3.6 |
4.0 x 103 |
7.1 |
TS206534_peak17 |
2.607 |
2.605 |
2.606 |
4.2 |
1.6 x 104 |
3.2 |
TS206534_peak24 |
3.610 |
3.609 |
3.610 |
5.1 |
1.4 x 105 |
2.9 |
TS206534_peak27 |
4.275 |
4.275 |
4.275 |
5.6 |
4.1 x 105 |
1.8 |
TS206534_peak29 |
5.061 |
5.058 |
5.060 |
6.1 |
1.2 x 106 |
1.7 |
TS206534_peak30 |
5.257 |
5.256 |
5.257 |
6.2 |
1.5 x 106 |
1.3 |
TS206534_peak31 |
5.834 |
5.829 |
5.832 |
6.5 |
2.8 x 106 |
2.0 |
TS206534_peak35 |
7.231 |
7.223 |
7.227 |
>6.5 |
>2.8 x 106 |
1.5 |
TS206534_peak43 |
11.380 |
11.450 |
11.415 |
>6.5 |
>2.8 x 106 |
7.4 |
TS206534_peak44 |
11.507 |
11.510 |
11.509 |
>6.5 |
>2.8 x 106 |
13 |
TS206534_peak45 |
11.646 |
11.650 |
11.648 |
>6.5 |
>2.8 x 106 |
48 |
The Powand log Powvalues of the test item at neutral pH were:
|
Log Pow |
Pow |
Area % |
TS206534_peak2 |
<1.9 |
<7.9 x 101 |
1.3 |
TS206534_peak14 |
3.6 |
4.0 x 103 |
7.1 |
TS206534_peak17 |
4.2 |
1.6 x 104 |
3.2 |
TS206534_peak24 |
5.1 |
1.4 x 105 |
2.9 |
TS206534_peak27 |
5.6 |
4.1 x 105 |
1.8 |
TS206534_peak29 |
6.1 |
1.2 x 106 |
1.7 |
TS206534_peak30 |
6.2 |
1.5 x 106 |
1.3 |
TS206534_peak31 |
6.5 |
2.8 x 106 |
2.0 |
TS206534_peak35 |
>6.5 |
>2.8 x 106 |
1.5 |
TS206534_peak43 |
>6.5 |
>2.8 x 106 |
7.4 |
TS206534_peak44 |
>6.5 |
>2.8 x 106 |
13 |
TS206534_peak45 |
>6.5 |
>2.8 x 106 |
48 |
Description of key information
Key value determined in a GLP accredited laboratory study using the HPLC method in accordance with OECD Guideline 117, EU Method A.8 and US EPA Procedure 830.7570.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.5
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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