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EC number: 206-460-0 | CAS number: 345-35-7
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 02 DEC 2019 to 17 MAR 2020
- 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:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- adopted July 27, 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- August 1996
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Reference substance 001
- Cas Number:
- 345-35-7
Constituent 1
- Specific details on test material used for the study:
- None
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.87
- Temp.:
- 20 °C
- pH:
- ca. 7.3
- Details on results:
- Preliminary estimation:
QSAR-calculation (“KOWWIN v1.68” as part of the “EPI-Suite” software) gave a log Po/w of 2.99.
The solubilities in a non GLP pre-test were estimated to be about 400 g/L in n-octanol and about 300 mg/L in pH 4, 7 and 9 at 20 °C.
Therefore it has been decided to perform the test as shake flask experiment. The test was not performed pH dependent due to the absence of dissociable groups in the molecule.
Main test:
The test item content was determined by HPLC-UV. The log Po/w was calculated for each run. The Po/w value (mean, n=6) of the test item at pH 7.3 ± 0.12 was 739.3539 . This corresponds to a log Po/w value of 2.87.
The analytical method for the determination complied with the criteria for linearity, specificity, accuracy and precision. Therefore, the study can be considered valid. The six log Pow values were determined within a range of ± 0.3 units.
Any other information on results incl. tables
Table 1: Results for the Determination of the log Po/w
Sample Description |
absolute Amound of Test Item per Replicate [% of nominal] |
coc/cw a | log Po/w |
|
1 |
107 |
791.1714 |
2.9 |
|
2 |
99 |
716.0459 |
2.85 |
|
3 |
113 |
816.2773 |
2.91 |
|
4 |
110 |
750.9568 |
2.88 |
|
5 |
102 |
726.7967 |
2.86 |
|
6 |
106 |
634.8749 |
2.80 |
|
mean |
739.3539 b |
2.87 c |
||
SD |
63.8023 |
|
a exact values calculated using exact raw data
b calculated from exact values
c rounded value calculated from mean coc/cwSD
SD: standard deviation
Applicant's summary and conclusion
- Conclusions:
- The HPLC-UV method was applied for the determination of the partition coefficient (Po/w) of 2-Fluorbenzyl chloride.
The Pow value (mean, n = 6) of the test item at pH 7.3 ± 0.12 was 739.3539 . This corresponds to a log Po/w value of 2.87. - Executive summary:
The partition coefficient of the test item was determined using the shake flask method.
The partition coefficient was calculated based on the results of the analytical determination. The test item content was determined by UPLC/UV. The log Po/w was calculated for each run.
The difference between the three different test variants was less than the given ± 0.3 log units. Therefore, the study can be considered to be valid.
According to this study the logarithmic partition coefficient (n-octanol/water) of 2 -Fluorobenzyl chloride was determined to be 2.87 using the shake flask method at 20 °C. The pH of the aqueous phase was 7.3 ± 0.12.
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