Registration Dossier
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EC number: 701-043-4 | CAS number: -
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: According to international guideline(s), GLP-compliant, performed in recognized contract research organization, no restrictions, fully adequate for assessment.
- 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:
- < 1
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not relevant
- Details on results:
- Six peaks of the test item were detected. The majority of the components (approximately 99% of the total peak area) had retention times less than that of the lowest reference substance, acetanilide (retention time 2.96 min), corresponding to log Pow values of less than 1.0. One component with approximately 1% of the total peak area had a retention time of about 9.5 min. For this component the log Pow value was calculated (for details see Table 1).
Reference
Table 1 HPLC determination of log Pow
Chemical name |
Retention time (min)* |
log k' |
log Pow |
Thiourea |
2.47 |
-- |
-- |
Acetanilide |
2.96 |
-0.707 |
0.68 |
Acetophenone |
3.83 |
-0.261 |
1.76 |
Methyl Benzoate |
4.74 |
-0.037 |
2.31 |
Ethyl Benzoate |
6.24 |
0.183 |
2.85 |
Benzophenone |
7.52 |
0.31 |
3.16 |
Naphthalene |
9.7 |
0.466 |
3.54 |
Triphenylamine |
53.93 |
1.318 |
5.61 |
Test Material (peak #6) |
9.48 |
0.453 |
3.50 |
*: Mean of six measurements (three series with two parallel injections each); CV% 0.1-0.2
Equation curve: log Pow = (log k'+0.984)/0.410 (Rsq = 0.984)
Description of key information
Log Pow <1.0 at 25°C (column temperature, HPLC method) (OECD 117, EU A8)Key value for chemical safety assessment
Additional information
Log Kow (Log Pow) <1 at the temparature of 25°C (column temperature)
The test material is a UVCB substance. The retention times of the majority of the components (approx. 99% of the total peak area) were lower than 2.96 minutes (equivalent to log Pow values of lower than 1.0). One of the detected peaks (<1% of the total peak area) had a retention time of about 9.5 minutes (equivalent to a log Pow value of 3.5).
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