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EC number: 614-657-1 | CAS number: 68609-08-5
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:
- from 2007-12-17 to 2008-02-26
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was regarded as reliable because it was conducted in compliance with GLP regulation and guidelines.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995-07-27
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- Commission Directive 92/69/EEC, Annex V
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- 08/1996
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004-04-13
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.36
- Temp.:
- 20 °C
- pH:
- >= 7.5 - <= 7.61
- Key result
- Type:
- Pow
- Partition coefficient:
- 236
- Temp.:
- 20 °C
- pH:
- >= 7.5 - <= 7.61
- Conclusions:
- Using the shake flask method, the partition coefficient (Pow) of the test item in n-octanol-water was determined to be 236 ± 178 (95% confidence interval). Based on this result, the log Pow is 2.36 ± 0.33 (95 % confidence interval).
- Executive summary:
Preliminary test:
The partition coefficient Pow was estimated from the ratio of the solubility of the test item in the pure solvents (water and n-octanol). The estimated log Pow was 3.9.
Estimation of Pow by HPLC method:
The partition coefficient Pow of the test item Reaction product of Bisphenol A (BADGE) with IPDA was determined based on a calibration curve using six reference items. The estimated Pow of the test item proved to be 1.2 by HPLC method, which does not reflect the Pow calculated from the solubility of the test item. Therefore, the shake flask method was applied for the Pow-determination of the test item.
Main test:
Using the shake flask method the partition coefficient (Pow) of the test item in n-octanol-water was determined to be 236 ± 178 (95 % confidence interval). Three parallel tests were carried out at all solvent ratios (n-octanol : water: A) 1:10, B) 1:5, C) 1:20). Based on this result, the log Pow is 2.36 ± 0.33 (95 % confidence interval).
Reference
The partition coefficient Pow of the test item was determined based on a calibration curve using six reference items. The regression coefficients were determined by linear regression calculation. The chromatograms were evaluated using LaChrom chromatogram processor. The log Pow value was calculated, using the measured regression coefficients and the capacity factor of the test item.
Description of key information
Using the shake flask method, the partition coefficient (Pow) of the test item in n-octanol-water was determined to be 236 ± 178 (95 % confidence interval). Based on this result, the log Pow was calculated to be 2.36 ± 0.33 (95 % confidence interval).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.36
- at the temperature of:
- 20 °C
Additional information
Preliminary test:
The partition coefficient Pow was estimated from the ratio of the solubility of the test item in the pure solvents (water and n-octanol). The estimated log Pow was 3.9.
Estimation of Pow by HPLC method:
The partition coefficient Pow of the test item was determined based on a calibration curve using six reference items. The estimated Pow of the test item proved to be 1.2 by HPLC method, which does not reflect the Pow calculated from the solubility of the test item. Therefore, the shake flask method was applied for the Pow-determination of the test item.
Main test:
Using the shake flask method the partition coefficient (Pow) of the test item in n-octanol-water was determined to be 236 ± 178 (95 % confidence interval). Three parallel tests were carried out at all solvent ratios (n-octanol : water: A) 1:10, B) 1:5, C) 1:20). Based on this result, the log Pow is 2.36 ± 0.33 (95 % confidence interval).
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