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EC number: - | CAS number: -
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:
- February 27, 2018 - April 27, 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 2242-62-5
- Expiration date of the lot/batch: November 3, 2020
- Purity test date:90%
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material:
ambient conditions in the dark. - Analytical method:
- liquid chromatography
- mass spectrometry
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.684
- Temp.:
- 25 °C
- pH:
- 7.02
- Details on results:
- The measured concentration of E17-194T was determined in the n-octanol and aqueous phases of duplicate samples prepared at three n-octanol: water volume ratios. The n-octanol/water partition coefficient (KOW) was calculated from the measured concentrations of E17-194T in each phase for each of six samples. Overall mean KOW values and overall mean of the logarithm (base 10) of the KOW values were then calculated.
The mean KOW values for E17-194T at n-octanol/water solvent ratios of 2:1, 1:1, and 1:2 were determined to be 4.32, 4.20, and 6.35, respectively. The overall mean log KOW values were 0.635, 0.621, and 0.796, respectively. The overall mean log KOW was 0.684 ± 0.11 (n = 6, CV = 16%).
The reported mean KOW values were determined by summing the peak areas for both test substance peaks (Isomer 1 and Isomer 2) and calculating test substance concentration based on that summed peak area. The mean KOW values were also determined for the peaks individually, by calculating test substance
concentration based on individual peak areas. This resulted in a log KOW of 0.675 (n = 6, CV = 16%) for Peak 1 and a log KOW of 0.695 (n = 6, CV = 15%) for Peak 2.
An example chromatogram showing the two isomers is presented below - Conclusions:
- The n-octanol/water partition coefficient (KOW) of E17-194T at 25°C, expressed as the logarithm (base 10) (log KOW), was determined to be 0.684 ± 0.11.
- Executive summary:
The n-octanol/water partition coefficient (KOW) of E17-194T at 25°C, expressed as the logarithm (base 10) (log KOW), was determined to be 0.684 ± 0.11.
Reference
Description of key information
The n-octanol/water partition coefficient (KOW) of E17-194T at 25°C, expressed as the logarithm (base 10) (log KOW), was determined to be 0.684 ± 0.11.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.684
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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