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EC number: 203-851-8 | CAS number: 111-26-2
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:
- other: data from experimental reports
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Principles of method if other than guideline:
- Determination of Partition Coefficient (n-Octanol/water) of n-Hexylamine (CAS No. 111-26-2) by Shake Flask Method (OECD Guideline No. 107)
- GLP compliance:
- not specified
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 0.022
- Temp.:
- 22 °C
- Remarks on result:
- other: no additional details mentioned
- Conclusions:
- The partition coefficient of test substance CAS No. 111-26-2 was determined as per the shake flask method (OECD Guideline-107). The log Pow value was determined to be 0.022±0.149 @22 0C.
- Executive summary:
The partition coefficient of test substance CAS No. 111-26-2 was determined as per the shake flask method (OECD Guideline-107). The log Pow value was determined to be 0.022±0.149@220C.
Reference
Tables :
Estimation of Pow and log Pow ofn-Hexylamine(CAS NO. 111-26-2).
Table-1
WATER PHASE |
||||||
Assay |
Ratio (n-octanol/water) |
V(ml) |
Concentration (mg/l) of test item |
Mean concentration mg/l |
Dilution factor |
|
R1 |
R2 |
|||||
Assay-1 |
1/2 |
40 |
4950.063 |
4904.564 |
4927.313 |
10 |
Assay-2 |
1/1 |
30 |
5021.287 |
5001.868 |
5011.577 |
10 |
Assay-3 |
2/1 |
20 |
2957.085 |
2946.399 |
2951.742 |
10 |
Table-2
OCTANOL PHASE |
||||||
Assay |
Ratio (n-octanol/water) |
V(ml) |
Concentration (mg/l) of test item |
Mean concentration mg/l |
Dilution factor |
|
R1 |
R2 |
|||||
Assay-1 |
1/2 |
20 |
4342.160 |
4329.187 |
4335.673 |
10 |
Assay-2 |
1/1 |
30 |
4255.857 |
4254.725 |
4255.291 |
10 |
Assay-3 |
2/1 |
40 |
4664.566 |
4655.518 |
4660.042 |
10 |
Table-3
Assay
|
Ratio (n-octanol/water) |
Cn-octanol/ Cwater |
Pow |
Log Pow |
Mean of Log Pow |
Assay-1
|
1/2 |
43356.73/49273.13 |
0.879 |
-0.056 |
0.022±0.149 |
Assay-2
|
1/1 |
42552.91/50115.77 |
0.849 |
-0.071 |
|
Assay-3
|
2/1 |
46600.42/29517.42 |
1.57 |
0.195 |
Description of key information
The octanol water partition coefficient of the test chemical was determined according to OECD Guidelines 107.The experimental logPow of hexylaminewas 2.31 ± 0.04.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.31
Additional information
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