Registration Dossier
Registration Dossier
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EC number: 433-460-1 | CAS number: 210880-92-5
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
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 0.7
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not reported
Reference
Determination of log Pow
In order to determine the octanol/water partition coefficient of the test substance, a calibration graph was plotted of log k versus log Pow for the reference substances. The partition coefficient of the test substance was obtained by interpolation of the calculated capacity factor on the calibration graph. The dead time t0 was measured by using an unretained organic compound (thiourea). The capacity factor, k, was calculated as follows (tR - retention time):
k = (tR-t0)/tR
The calculated capacity for each of the reference substance is
then plotted against the known octanol/water partition coefficients.
Known values were taken from OPPTS 830.7570. The slope, intercept, and
correlation coefficient were calculated by linear regression analysis of
the calibration line.
Obtained parameters: slope 1.5679, intercept 0.4369, correlation coefficient r 0.9885.
Test item: retention time 6.278, capacity factor k 1.39, log k 0.143,
log Pow 0.7 (all determined in duplicate)
Description of key information
log Pow 0.7 at 25 °C, pH not reported
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.7
- at the temperature of:
- 25 °C
Additional information
The octanol/water partition coefficient of the test item was determined according to the HPLC method (OECD 117).
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