Registration Dossier
Registration Dossier
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EC number: 419-240-6 | CAS number: 171054-89-0
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:
- 22.05.1995 - 30.05.1995
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- gas chromatography
- high-performance liquid chromatography
- Key result
- Type:
- Pow
- Partition coefficient:
- 1.42
- Temp.:
- 22 °C
- pH:
- 5.9
- Remarks on result:
- other: Benzenebutanoic acid, 4-methyl-γ-oxo
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.154
- Temp.:
- 22 °C
- pH:
- 5.9
- Remarks on result:
- other: Benzenebutanoic acid, 4-methyl-γ-oxo
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.077
- Temp.:
- 22 °C
- pH:
- 5.9
- Remarks on result:
- other: 4-Ethylmorpholine
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.11
- Temp.:
- 22 °C
- pH:
- 5.9
- Remarks on result:
- other: 4-Ethylmorpholine
- Conclusions:
- The partition coefficients of benzenebutanoic acid, 4-methyl-γ-oxo and 4-ethylmorpholine in the test material been determined to be as follows:
benzenebutanoic acid, 4-methyl-γ-oxo: Pow = 1.42; Log10 Pow = 0.154
4-ethylmorpholine: Pow = 7.75E-2; Log10 Pow = -1.11
Temperature: 22.0 +/- 0.5 °C - Executive summary:
The concentration of benzenebutanoic acid, 4-methyl-γ-oxo and 4-ethylmorpholine in the standard solutions were calculated using the following data acquired in the Accelerated Storage Stability study, Safepharm project number 798/016.
The peak heights or areas of the pair of standards associated with a particular sample were corrected to nominal concentration and the mean value taken prior to the calculation of the sample concentration.
There is a definite variation in partition coefficient with n-octanol:water volume ratio.
The experimental procedure used complies with that specified in Method A8 of Commission Directive 92/69/EEC (which constitutes Annex V of Council Directive 67/548/EEC).
Reference
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.154
- at the temperature of:
- 22 °C
Additional information
benzenebutanoic acid, 4-methyl-γ-oxo: Pow = 1.42; Log10 Pow = 0.154
4-ethylmorpholine: Pow = 7.75E-2; Log10 Pow = -1.11
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