Registration Dossier
Registration Dossier
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EC number: 946-382-0 | 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:
- From 01 July 2015 to 26 July 2016.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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
- Analytical method:
- other: Ultra performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.3
- Temp.:
- 20 °C
- pH:
- 6
- Remarks on result:
- other: Peak area: 7.9%.
- Type:
- log Pow
- Partition coefficient:
- 2.7
- Temp.:
- 20 °C
- pH:
- 6
- Remarks on result:
- other: Peak area: 66%.
- Type:
- log Pow
- Partition coefficient:
- 2.2
- Temp.:
- 20 °C
- pH:
- 6
- Remarks on result:
- other: Peak area: 3.0%.
- Type:
- log Pow
- Partition coefficient:
- 1.6
- Temp.:
- 20 °C
- pH:
- 6
- Remarks on result:
- other: Peak area: 23%.
- Details on results:
- The chromatogram of the test substance solution (500 mg/L) showed four substance peaks with areas ranging from 3.0% to 66%.
- Conclusions:
- A log Pow range of 1.6-3.3 was determined for the substance PEMP product.
- Executive summary:
A log Pow range of 1.6-3.3 was determined for the substance PEMP product. The log Pow was determined using the HPLC method in a GLP study according to EC A.8, OECD 117 and OPPTS 830.7570. The mobile phase was 75/25 (v/v) methanol/buffer pH 6 and the wavelength of detection 210 nm. Duplicate measurements were performed. Both chromatograms of the test substance solution (500 mg/L) showed four substance peaks with areas ranging from 3.0% to 66%. The log Pow value for the peaks with areas of 66%, 23%, 7.9% and 3.0% was determined to be 2.7, 1.6, 3.3 and 2.2, resp.
Reference
Table: Results Partition coefficient n-octanol-water (HPLC-method)
Substance |
tr,1 |
tr,2 |
mean tr |
log Pow |
Pow |
Peak area |
|
|
|
|
|
|
|
Formamide (t0) |
0.563 |
0.564 |
0.564 |
|
|
|
|
|
|
|
|
|
|
2-Butanone |
0.660 |
0.658 |
|
0.3 |
|
|
Nitrobenzene |
0.906 |
0.902 |
|
1.9 |
|
|
Bromobenzene |
1.501 |
1.497 |
|
3.0 |
|
|
Biphenyl |
2.499 |
2.494 |
|
4.0 |
|
|
Dibenzyl |
4.134 |
4.118 |
|
4.8 |
|
|
4,4’-DDT |
10.737 |
10.740 |
|
6.5 |
|
|
|
|
|
|
|
|
|
Substance Peak1 |
0.844 |
0.843 |
0.844 |
1.6 |
3.8E01 |
23 |
Substance Peak2 |
1.028 |
1.027 |
1.028 |
2.2 |
1.8E02 |
3.0 |
Substance Peak3 |
1.202 |
1.201 |
1.202 |
2.7 |
4.6E02 |
66 |
Substance Peak4 |
1.587 |
1.586 |
1.587 |
3.3 |
1.9E03 |
7.9 |
|
|
|
|
|
|
|
Note: Log Pow values for the reference substances are mentioned in OECD TG 117.
Description of key information
Log Pow range: 1.6-3.3 (EC A.8, OECD 117 and OPPTS 830.7570: HPLC method).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.3
- at the temperature of:
- 20 °C
Additional information
The chromatogram of the test substance solution (500 mg/L) showed four substance peaks with areas ranging from 3.0% to 66%.
The maximum value of the log Pow range was chosen as the key value for CSA (worst-case approach).
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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