Registration Dossier
Registration Dossier
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EC number: 235-469-2 | CAS number: 12237-63-7 This substance is identified in the Colour Index by Colour Index Constitution Number, C.I. 45160:2.
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:
- guideline study
- Justification for type of information:
- Experimental test result performed using standard test guidelines
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.525
- Temp.:
- 25 °C
- Remarks on result:
- other: logKow was reported to be 3.525 ± 0.006 at 25˜C.
- Conclusions:
- The partition coefficient (n-octanol/water) of test chemical.was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was determined to be 3.525 ± 0.006 dimensionless at 25°C.
- Executive summary:
The partition Coefficient n-octanol/water of test chmeical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were , 2,6-Diphenylpyridine, 2-Nitrophenol, Nitrobenzene, Diphenylamine, n-Butylbenzene, Naphthalene, Triphenylamine were chosen having log Pow range from 0.5 to 5.7 The Log Pow value was determined to be 3.525 ± 0.006dimensionless at 25°C.
Reference
Reference substance |
LogPow |
Rt1 |
Rt2 |
Rt3 |
MeanRt±S.D. |
k |
Logk |
Formamide |
NA |
0.897 |
0.899 |
0.9 |
0.899±0.006 |
0 |
0 |
4-Acetylpyridine |
0.5 |
1.129 |
1.13 |
NA |
1.1295±0.001 |
0.2577 |
-0.5889 |
Acetophenone |
1.7 |
1.45 |
1.46 |
NA |
1.455±0.007 |
0.455 |
-0.342 |
Benzophenone |
3.2 |
2.448 |
2.393 |
NA |
2.4205±0.039 |
1.695 |
0.2292 |
Phenol |
1.5 |
1.279 |
1.278 |
NA |
1.2785±0.001 |
0.4237 |
-0.3729 |
Benzene |
2.1 |
1.501 |
1.504 |
NA |
1.5025±0.002 |
0.6731 |
-0.1719 |
2,6-Diphenylpyridine |
4.9 |
6.987 |
7.005 |
NA |
6.996±0.013 |
6.79 |
0.8319 |
2-Nitrophenol |
1.8 |
1.502 |
1.511 |
NA |
1.5065±0.006 |
0.6776 |
-0.169 |
Nitrobenzene |
1.9 |
1.567 |
1.564 |
NA |
1.539±0.002 |
0.7138 |
-0.1464 |
Diphenylamine |
3.4 |
2.739 |
2.753 |
NA |
2.746±0.010 |
2.057 |
0.3132 |
n-Butylbenzene |
4.6 |
7.963 |
7.966 |
NA |
7.9645±0.002 |
7.8691 |
0.8959 |
Naphthalene |
3.6 |
3.263 |
3.278 |
NA |
3.2705±0.011 |
2.641 |
0.4218 |
Triphenylamine |
5.7 |
15.592 |
15.706 |
NA |
15.649±0.081 |
16.426 |
1.2155 |
Test substance
|
K |
Log k |
Log Pow by Generalized Calibration Graph
|
Mean of Log Pow ± S.D.
|
|
Rt1 |
3.155 |
2.509 |
0.400 |
3.521 |
3.525 ± 0.006
|
Rt2 |
3.172 |
2.528 |
0.403 |
3.530 |
|
Description of key information
On the basis of the available data from study report, the partition coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were , 2,6-Diphenylpyridine, 2-Nitrophenol, Nitrobenzene, Diphenylamine, n-Butylbenzene, Naphthalene, Triphenylamine were chosen having log Pow range from 0.5 to 5.7 The Log Pow value was determined to be 3.525 ± 0.006 dimensionless at 25°C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.525
- at the temperature of:
- 25 °C
Additional information
On the basis of the available data from study report, the partition coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were , 2,6-Diphenylpyridine, 2-Nitrophenol, Nitrobenzene, Diphenylamine, n-Butylbenzene, Naphthalene, Triphenylamine were chosen having log Pow range from 0.5 to 5.7 The Log Pow value was determined to be 3.525 ± 0.006 dimensionless at 25°C.
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