Registration Dossier
Registration Dossier
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EC number: 266-096-3 | CAS number: 66063-05-6
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2008-09-04 to 2008-11-13
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- 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 - HPLC Method)
- Deviations:
- no
- Principles of method if other than guideline:
- he HPLC method is based on the correlation between the retention of a substance on a reversed phase column and the 1-octanol/water partition coefficient Pow.
log Pow = a + b log k' (1)
k'= (tR - t0)/ t0 (capacity factor) (2)
with tR retention time of substances
t0 dead time
The dead time is determined by using a homologous series of n-alkyl methyl ketones. For calibration according to equation (1) retention times of selected reference compounds with known 1-octanol/water partition coefficients were measured. In a further step the log POW of the test item should be derived from its retention time. - GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4
- Temp.:
- 25 °C
- pH:
- 9
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4
- Temp.:
- 25 °C
- pH:
- 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4
- Temp.:
- 25 °C
- pH:
- 4
- Conclusions:
- pH 4 Log Pow 4.0
pH 7 Log Pow 4.0
pH 9 Log Pow 4.0 - Executive summary:
The partition coefficients (1-octanol/water) of pencycuron (NTN 19701), pure substance, were determined according to the OECD guideline 117, EEC-guideline 92/69/EEC A.8. and EPA guideline OPPTS 830.7570 (HPLC-method).
9 calibration substances were injected into an HPLC-system under the same analytical conditions as the test item (column temperature 25°C). Neutral calibration substances were used. Calibration curves were created by using the measured retention times (log k’-values) and the known log POW-values of the calibration substances for linear regression.
The measured log k’-values of the test item were within the calibrated log k’-range. From the resulted calibration curves and their equations the log POW values of the test item were interpolated.
The partition coefficient (1-octanol / water) of the test item were at 25°C:
pH 4 pH 7 pH 9 log Pow 4.0 4.0 4.0 Pow 10000 10000 10000
Reference
The partition coefficients (1-octanol/water) of Pencycuron (NTN 19701), pure substance, were determined according to OECD guideline 117, EEC-guideline 92/69/EEC A.8. and EPA guideline OPPTS 830.7570, HPLC-method.
9 calibration substances were injected into an HPLC-system under the same analytical conditions as the test item (column temperature 25°C). Neutral calibration substances were used. Calibration curves were created by using the measured retention times (log k’-values) and the known log POW-values of the calibration substances for linear regression.
The measured log k’-values of the test item were within the calibrated log k’-range.
From the resulted calibration curves and their equation the log POW values of the test item were interpolated.
The partition coefficients (1-octanol / water) of the test item were at 25°C:
| pH4 | pH7 | pH9 | ||||
| RUN 1 | RUN 2 | RUN 1 | RUN 2 | RUN 1 | RUN 2 | |
| log Pow | 4.01 | 4.01 | 4.00 | 4.00 | 3.99 | 3.98 |
| log Pow (mean) | 4.0 | 4.0 | 4.0 | |||
| Pow | 10000 | 10000 | 10000 | |||
Description of key information
Partition coefficient of the test substance at 25°C:
pH 4 Log Pow 4.0
pH 7 Log Pow 4.0
pH 9 Log Pow 4.0
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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