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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 219-948-3 | CAS number: 2580-77-0
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:
- The study was conducted between 6 March 1998 and 17 May 1998
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: shake-flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Sponsor's identification: BHES-100X
Batch number: 1A0110
Date received: 20 January 1998
Storage conditions: room temperature in the dark - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.06
- Temp.:
- 21.5 °C
- pH:
- >= 6.9 - <= 7.5
- Conclusions:
- The partition coefficient of BHES-100X has been determined to be 8.72 x 10^-3 at 21.5 ± 0.5 °C, log10 Pow = -2.06
- Executive summary:
The partition coefficient has been determined to be 8.72 x 10-3 at 21.5 ± 0.5 °C, log10 Pow = -2.06, using the shake-flask method, Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
Reference
Preliminary estimate
Approximate solubility in n-octanol: < 96.0 mg/l
Approximate solubility in water: > 3.00 x 105 mg/l
Approximate Pow: < 3.20 x 10-4
Log10 Pow: < -3.50
Definitive test
pH of n-octanol saturated water = 6.0
pH of stock solution = 6.2
Temperature = 21.5 ± 0.5 °C
The partition coefficient determined for each sample is shown in the following table.
Sample number |
n-Octanol/water volume ratio |
Partition coefficient |
Log10Pow |
Mean Partition coefficient |
1 |
2:1 |
8.26 x 10-3 |
-2.08 |
8.02 x 10-3 |
2 |
7.79 x 10-3 |
-2.11 |
||
3 |
4:1 |
8.86 x 10-3 |
-2.05 |
8.49 x 10-3 |
4 |
8.12 x 10-3 |
-2.09 |
||
5 |
8:1 |
9.64 x 10-3 |
-2.02 |
9.64 x 10-3 |
6 |
9.63 x 10-3 |
-2.02 |
Mean Pow = 8.72 x 10-3 Log10 Pow = -2.06 Standard deviation = 7.92 x 10-4
Discussion
Substances having a log10 Pow of greater than 3 are regarded as having the potential to bioaccumulate in the environment.
Description of key information
The partition coefficient has been determined to be 8.72 x 10-3at 21.5 ± 0.5 °C, log10Pow= -2.06, using the shake-flask method, Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.06
- at the temperature of:
- 21.5 °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.
