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EC number: 605-293-4 | CAS number: 162568-25-4
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- 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)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.2
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not relevant
- Details on results:
- The test substance, which eluted as a very broad range of peaks between approximately 1.6 and 3.2 minutes, was thus found to have log10Pow values ranging from 0.5 to 4.6. The main chromatographic component at approximately 1.9 minutes was determined to have a log10Pow value of 2.2.
Reference
Table 1: HPLC determination of log10Pow(pH 7 test)
Sample |
Component |
tr(minutes) |
k |
log10k |
log10Pow |
|
|
|
|
|
|
Standard Run A |
Acetanilide |
1.616 |
0.128 |
-0.891 |
1.0 |
(t0= 1.432 minutes) |
Nitrobenzene |
1.963 |
0.371 |
-0.431 |
1.9 |
|
Ethylbenzoate |
2.183 |
0.524 |
-0.280 |
2.6 |
|
Bromobenzene |
2.489 |
0.738 |
-0.132 |
3.0 |
|
Benzylbenzoate |
2.489 |
0.738 |
-0.132 |
4.0 |
|
DDT |
4.814 |
2.362 |
0.373 |
6.2 |
|
|
|
|
|
|
Sample A |
test material |
1.623 to 3.246 |
0.133 to 1.265 |
-0.877 to 0.102 |
0.5 to 4.6 |
(t0= 1.433 minutes) |
|
(1.910)* |
(0.333)* |
(-0.479)* |
(2.2)* |
|
|
||||
Sample B |
test material |
1.623 to 3.250 |
0.132 to 1.266 |
-0.880 to 0.103 |
0.5 to 4.6 |
(t0= 1.434 minutes) |
|
(1.910)* |
(0.332)* |
(-0.478)* |
(2.2)* |
|
|
||||
Standard Run B |
Acetanilide |
1.620 |
0.129 |
-0.890 |
1.0 |
(t0= 1.435 minutes) |
Nitrobenzene |
1.967 |
0.371 |
-0.431 |
1.9 |
|
Ethylbenzoate |
2.186 |
0.523 |
-0.281 |
2.6 |
|
Bromobenzene |
2.493 |
0.737 |
-0.132 |
3.0 |
|
Benzylbenzoate |
2.493 |
0.737 |
-0.132 |
4.0 |
|
DDT |
4.822 |
2.360 |
0.373 |
6.2 |
|
|
|
|
|
|
*: Main chromatographic component
Linear regression (based on mean of standard runs A and B): log10Pow= 4.19 log10k + 4.16
Description of key information
Log Pow = 2.2 at 25°C (OECD 117, EU A8)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.2
- at the temperature of:
- 25 °C
Additional information
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