Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 801-260-5 | CAS number: 96383-55-0
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:
- 17 Jun - 5 Sep 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Ministerie van Volksgezondheid, Welzijn en Sport, Den Haag
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.6
- Temp.:
- 35 °C
- pH:
- ca. 7
- Remarks on result:
- other: main component
Reference
Preliminary calculation result (Rekker method): log Pow = 6.06
Dissociation constant calculation: no pKa values for acidic and basic groups in the molecular structure of the test substance in the logarithm range of 1-14 were calculated.
HPLC method: in the chromatogram of the test solution, one major peak and several small test substance peaks were observed. The results are given in the table:
Substance |
t1[min] |
t2[min] |
mean t[min] (n=2) |
log Pow |
Pow |
area [%] |
Formamide (t0) |
0.564 |
0.567 |
0.566 |
- |
- |
- |
Ethylmethylketone |
0.662 |
0.661 |
- |
0.3 |
|
|
Nitrobenzene |
0.931 |
0.930 |
- |
1.9 |
|
|
Bromobenzene |
1.588 |
1.585 |
- |
3.0 |
|
|
Biphenyl |
2.740 |
2.732 |
- |
4.0 |
|
|
Dibenzyl |
4.659 |
4.641 |
- |
4.8 |
|
|
4,4’-DDT |
13.166 |
13.102 |
- |
6.5 |
|
|
TS204808-peak 1 |
0.510 |
0.507 |
0.509 |
< 0.3 |
< 2.0 |
2.8 |
TS204808-peak 2 |
0.699 |
0.697 |
0.698 |
0.58 |
3.8 |
0.11 |
TS204808-peak 3 |
0.826 |
0.824 |
0.825 |
1.4 |
27 |
1.7 |
TS204808-peak 4 |
1.345 |
1.343 |
1.344 |
2.8 |
650 |
0.30 |
TS204808-peak 5 |
1.921 |
1.921 |
1.921 |
3.5 |
3200 |
0.027 |
TS204808-peak 6 |
7.490 |
7.494 |
7.492 |
5.6 |
3.7E05 |
95 |
The equation of the regression line was:
log k' = 0.345 log P - 0.831 (r = 0.998, n = 12).
Description of key information
log Pow = 5.6 at 35 °C, pH described as neutral (ca. 7)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.6
- at the temperature of:
- 35 °C
Additional information
The partition coefficient of the substance was determined using HPLC method according to EU method A.8 and guidelines OECD 117 and OPPTS 830.7570. The value obtained corresponds to the main component. It is not expected that the value changes significantly at the room temperature (ca. 20 -25 °C).
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
