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Partition coefficient

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Reference
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:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
GLP compliance:
yes (incl. certificate)
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

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.

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).

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