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EC number: 207-396-6 | CAS number: 467-63-0
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 results performed using standard test guideline
- 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:
- 6.093
- Temp.:
- 25 °C
- Remarks on result:
- other: other details are not specified
- 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 6.093±0.005 at 25°C.
- Executive summary:
The Partition Coefficient n-octanol/water (Pow) of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 for testing of chemicals.
The analysis was performed at constant recommended conditions such as temperature 25°C (Acetonitrile: water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. Generalized reference substances were selected and selected reference substances and test chemical were prepared in acetonitrile. Both were analyzed on HPLC considering the similar conditions.
After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log Powvalue.
The reference substances were Benzene, Diphenylamine, Naphthalene, Ethyl benzene, Biphenyl, Phenanthrene, Butylbenzene, Triphenylamine and DDT having Powvalue ranging from 2.41 to 6.10.
TheLog Powvalue was determined to be 6.093±0.005 at 25°C , inferring the test chemical to be hydrophobic in nature .
Reference
The Partition coefficient (log Pow) of the p,p',p''-tris(dimethylamino)trityl alcohol (CAS No. 467-63-0) was found to be 6.093±0.005 at 25°C.
Reference substances |
tR1 |
tR2 |
Mean tR± SD |
k | log k |
Log Pow |
Formamide |
1.058 |
1.053 |
1.056±0.004 |
NA |
NA |
NA |
Benzene |
1.946 |
1.947 |
1.947±0.001 |
0.844 |
-0.074 |
2.41 |
Diphenylamine |
2.392 |
2.393 |
2.393±0.001 |
1.267 |
0.103 |
2.91 |
Naphthalene |
2.683 |
2.688 |
2.686±0.004 |
1.544 |
0.189 |
3.32 |
Ethyl benzene |
2.882 |
2.878 |
2.880±0.003 |
1.729 |
0.238 |
3.62 |
Biphenyl |
3.276 |
3.279 |
3.278±0.002 |
2.105 |
0.323 |
3.90 |
Phenanthrene |
4.015 |
4.028 |
4.022±0.009 |
2.81 |
0.449 |
4.41 |
Butylbenzene |
5.111 |
5.103 |
5.107±0.006 |
3.838 |
0.584 |
5.00 |
Triphenylamine |
7.471 |
7.461 |
7.466±0.007 |
6.073 |
0.783 |
5.82 |
DDT |
9.502 |
9.522 |
9.512±0.014 |
8.012 |
0.904 |
6.10 |
Test chemical |
k |
Log k |
Log Pow |
Mean of Log Pow± S.D |
|
tR1 |
8.975 | 7.503 | 0.875 | 6.097 | 6.093±0.005 |
tR2 |
8.940 | 7.470 | 0.873 | 6.089 | |
Description of key information
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 6.093±0.005 at 25°C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.8
- at the temperature of:
- 25 °C
Additional information
The Partition Coefficient n-octanol/water (Pow) of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 for testing of chemicals.
The analysis was performed at constant recommended conditions such as temperature 25°C (Acetonitrile: water) ratio 75:25 at the flow rate of 1 mL/min at 210 nm. Generalized reference substances were selected and selected reference substances and test chemical were prepared in acetonitrile. Both were analyzed on HPLC considering the similar conditions.
After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log Powvalue.
The reference substances were Benzene, Diphenylamine, Naphthalene, Ethyl benzene, Biphenyl, Phenanthrene, Butylbenzene, Triphenylamine and DDT having Powvalue ranging from 2.41 to 6.10.
TheLog Powvalue was determined to be6.093±0.005 at 25°C , inferring the test chemical to be hydrophobic in nature .
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