Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 814-217-0 | CAS number: 353258-35-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- other: shake flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
- Cas Number:
- 353258-35-2
- Molecular formula:
- C9H4ClF3N2O2
- IUPAC Name:
- 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
1
- Specific details on test material used for the study:
- Test substance: IN-QEK31-011
Batch No.: SG0312574
Purity: 98.2%
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- Pow
- Partition coefficient:
- 3.78
- Temp.:
- 20 °C
- pH:
- 4
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.58
- Temp.:
- 20 °C
- pH:
- 4
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.05
- Temp.:
- 20 °C
- pH:
- 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.29
- Temp.:
- 20 °C
- pH:
- 7
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.03
- Temp.:
- 20 °C
- pH:
- 9
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.52
- Temp.:
- 20 °C
- pH:
- 9
Applicant's summary and conclusion
- Conclusions:
- Overall mean Kow (Octanol-pH 4.0): 3.78 ± 0.30; Overall mean Log Kow: 0.58 ± 0.03
Overall mean Kow (Octanol-pH 7.0): 0.05 ± 0.00; Overall mean Log Kow: -1.29 ± 0.03
Overall mean Kow (Octanol-pH 9.0): 0.03 ± 0.00; Overall mean Log Kow: -1.52 ± 0.00 - Executive summary:
The partition coefficient for the test substance was determined according to regulatory guidelines: OECD 107 and OPPTS 830.7550.
The partition coefficient of the test substance was determined by shake flask method at three volume ratios. The overall mean partition coefficient (Kow) and log Kow of test at 20 ± 1ºC is presented below:
Overall mean Kow (Octanol-pH 4.0): 3.78 ± 0.30; Overall mean Log Kow: 0.58 ± 0.03
Overall mean Kow (Octanol-pH 7.0): 0.05 ± 0.00; Overall mean Log Kow: -1.29 ± 0.03
Overall mean Kow (Octanol-pH 9.0): 0.03 ± 0.00; Overall mean Log Kow: -1.52 ± 0.00
The log P of the test substance was pH dependent, and the compound showed a lower log P at higher pH. Such a result was expected due to ionization of this products at higher pH.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
