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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 946-282-7 | 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:
- 14-Aug-2013 to 30-Oct-2013
- 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)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.4
- Temp.:
- 40 °C
- Remarks on result:
- other: The working temperature of the HPLC was 40 °C
- Conclusions:
- A log Kow of 4.4 (at 40 °C) was determined for the test substance according to OECD 117.
Reference
Results
Preliminary estimate
The EPI suit prediction was used for the preliminary estimate.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 3.93
Final measurements
Dead time measurement
Dead time |
Retention time (mins) |
Mean retention time (min) |
|
Injection 1 |
Injection 2 |
||
Thiourea |
1.916 |
1.935 |
1.926 |
Test results of reference standards
Standard |
Retention time (min) |
Mean retention time (min) |
Capacity factor (k)1) |
Log10k |
Log Pow2) |
|
Aniline |
2.409 |
2.408 |
2.409 |
0.25 |
-0.6 |
0.9 |
Benzonitrile |
2.625 |
2.637 |
2.631 |
0.37 |
-0.44 |
1.6 |
Toluene |
3.483 |
3.488 |
3.486 |
0.81 |
-0.09 |
2.7 |
1,4- Dichlorobenzene |
4.076 |
4.075 |
4.076 |
1.12 |
0.05 |
3.4 |
Phenanthrene |
5.199 |
5.174 |
5.187 |
1.69 |
0.23 |
4.5 |
Triphenylamine |
7.820 |
7.794 |
7.807 |
3.05 |
0.48 |
5.7 |
1) k = (tr– t0) / t0
2)log Pow: reference standard value
Test results of sample
Sample name |
Injection |
Retention time (min) |
Capacity factor (k) |
Log10k |
Log Pow |
[test item] |
1 |
5.127 |
1.66 |
0.22 |
4.4 |
2 |
5.150 |
1.67 |
0.22 |
4.4 |
|
Average |
5.139 |
1.67 |
0.22 |
4.4 |
Results for [test item]
log Pow= 4.4 (calculated log Powvalue by HPLC calibration plot):
Partition coefficient = 2.37 × 104
Description of key information
Log Pow: 4.4 at 40 °C (OECD 117, HPLC method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.4
- at the temperature of:
- 40 °C
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.
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.
