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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
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Batch TROD7BB06
- Analytical method:
- liquid chromatography
- mass spectrometry
- Key result
- Type:
- log Pow
- Partition coefficient:
- <= -1.53
- Temp.:
- 20 °C
- pH:
- >= 8.7 - <= 8.8
- Remarks on result:
- other:
- Remarks:
- results for pH based on solubility in water
- Conclusions:
- The partition coefficient (Kow) of Acetic acid, oxo-, sodium salt, reaction products with ethanolamine and phenol, sodium hydroxide and ferric chloride calculated using the n-octanol solubility and the water solubility is ≤ 0.0297 (Log Kow ≤ -1.53).
- Executive summary:
The partition coefficient (Kow) of Acetic acid, oxo-, sodium salt, reaction products with ethanolamine and phenol, sodium hydroxide and ferric chloride calculated using the n-octanol solubility and the water solubility is ≤ 0.0297 (Log Kow≤ -1.53).
Reference
The estimation method was used to calculate the partition coefficient ofAcetic acid, oxo-, sodium salt, reaction products with ethanolamine and phenol, sodium hydroxide and ferric chloride.Quantification was based on the response of dissolved iron and on the response of ortho-MEAHA.
The Powwas calculated using the n-octanol solubility and the water solubility measured in samples from the test at a loading rate of 50 g/L. Based on analysis of dissolved iron and on analysis of ortho-MEAHA, n-octanol solubility of the test item was measured to be 1.42 g/L and 1.41 g/L. Water solubility was measured to be 47.6 and 47.4 g/L. Maximum value for Powis obtained using the results of the LC-UV analysis i.e. 1.41 g/L and 74.4 g/L. Based on these solubilities, Powis 0.0297 corresponding with a log Powof -1.53. All other solubilities will result in even lower Powvalues. The partition coefficient of the test item is therefore reported as less than or equal to these values.
Description of key information
The partition coefficient calculated using the n-octanol solubility and the water solubility is ≤ 0.0297 (Log Kow≤ -1.53).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.53
- at the temperature of:
- 20 °C
Additional information
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