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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: - | CAS number: -
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:
- 2 020
- Report date:
- 2020
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- other: both the flask method and HPLC estimation method were assessed
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- (2S)-1,1-bis(4-fluorophenyl)propan-2-yl L-alaninate hydrochloride
- Cas Number:
- 2171323-89-8
- Molecular formula:
- C18H20CIF2NO2
- IUPAC Name:
- (2S)-1,1-bis(4-fluorophenyl)propan-2-yl L-alaninate hydrochloride
Constituent 1
- Specific details on test material used for the study:
- Substance name: BFPA HCl salt
Lot #: SS17000577 (TSN400390)
Purity: 100%
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.5
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: n-octanol/water partition coefficient: 310
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.5
- Temp.:
- 20 °C
- pH:
- 12
- Remarks on result:
- other: n-octanol/water partition coefficient: 2900
Applicant's summary and conclusion
- Conclusions:
- 310 (log10 Pow = 2.5) at pH 7
2900 (log10 Pow = 3.5) at pH 12 - Executive summary:
This study was conducted to determine the n-octanol / water partition coefficient of the test substance according to regulatory guidelines: EC Method A.8, OECD Methods 107/117 and EPA/OCSPP 830.7550/7570
The n-octanol/water partition coefficient of the test substance was found to be 310 (log10 Pow = 2.5) in pH 7 buffer solution at 20°C.
In addition, the n-octanol/water partition coefficient of the test substance was calculated to be 2900 (log10 Pow = 3.5) at pH 12.
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.
