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EC number: 613-198-4 | CAS number: 63302-43-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 22 April 1996
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP study conducted in accordance with OECD Guideline.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 996
- Report date:
- 1996
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- N1-(5-methylhexan-2-yl)benzene-1,4-diamine
- Cas Number:
- 63302-43-2
- Molecular formula:
- C13H22N2
- IUPAC Name:
- N1-(5-methylhexan-2-yl)benzene-1,4-diamine
- Details on test material:
- Distilled TRAE, AA4525. lot # Y-775
Active component: 1,4-Benzenediamine, N-(l,4-dimethylpentyl)
CAS No.: 63302-43-2
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3.5
- Remarks on result:
- other: % RSD = 3.5. Temp and pH not specified
- Details on results:
- Linear regression analysis of the plot of log Pow vs log k' for the standards was used for the prediction of the partition coefficient N-Octanol/Water of the test material.
The partition coefficient N-Octanol/Water of TRAE, AA4525, lot # Y-775 was log Pow = 3.50, % RSD = 3.5
Any other information on results incl. tables
Predicted Log Pow for Test Material:
Compound Samples |
to |
tr |
k* |
Logk' |
Predicted LogP |
(xO-X) |
Std Dev (indvl) |
Average LogP |
Std Dev (avg) |
% RSD |
TRAE |
1.967 |
4.383 |
1.228 |
0.089 |
3.481 |
0.367 |
0.349 |
3.501 |
0.124 |
3.5 |
1.967 |
4.400 |
1.237 |
0.092 |
3.494 |
0.370 |
0.351 |
|
|
|
|
1.967 |
4.417 |
1.246 |
0.095 |
3.508 |
0.373 |
0.352 |
|
|
|
|
1.967 |
4.433 |
1.254 |
0.098 |
3.520 |
0.376 |
0.354 |
|
|
|
|
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient N-Octanol/Water of TRAE, AA4525, lot # Y-775, was determined using the HPLC method and measured as: log Pow = 3.50
- Executive summary:
The partition coefficient N-Octanol/Water of TRAE, AA4525, lot # Y-775, was determined using the HPLC method in accordance with OECD Guideline 117.
The log Pow (partition coefficient N-Octanol/Water) of the test substance was determined to be 3.50, % RSD = 3.5.
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