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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
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