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EC number: 642-783-7 | CAS number: 75279-53-7
- 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:
- 30-31 July 2015
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes
- Remarks:
- see report
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-(4-chloro-2-fluorophenyl)acetonitrile
- EC Number:
- 642-783-7
- Cas Number:
- 75279-53-7
- Molecular formula:
- C8 H5 Cl F N
- IUPAC Name:
- 2-(4-chloro-2-fluorophenyl)acetonitrile
- Test material form:
- other: solid
- Details on test material:
- Roche number : RO0401413-000
BMG sample : M1506-07000-01
Chemical name : 4-chloro-2-fluorophenylacetonitrile
Lot number : 280001T01O
Purity : 100,0 % (m/m)
Molecular formula : C8H5ClFN
Molecular mass : 169,6 g/mol
Physical form : solid
Storage : at room temperature, protected from light
Stability : stable under storage conditions
Expiry date : 31 december 2015
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- ca. 2.34
- Temp.:
- 25 °C
- pH:
- ca. 7
Applicant's summary and conclusion
- Executive summary:
The log Pow of PAC-Nitrile (CAS Nr. 75279-53-7) was determined by regression analysis based on the log Pow values of reference items and their respective retention times as determined by HPLC analysis in the environmentally relevant, neutral pH range.
The following reference items were used: Aniline, Benzonitrile, Nitrobenzene, Benzophenone, Naphthalene and Benzylbenzoate. The dead time of the HPLC system was determined with Thiourea. This set of reference items yielded a calibration with log Pow values ranging from 0.9 to 4.0 and retention times ranging from 2.02 min to 5.65 min. The dead time of the HPLC system was 1.42 min.
Two determinations of the log Pow value of PAC-Nitrile were conducted: first, by injecting each reference item and the test item separately; secondly, by injecting all of them together.
The log Pow value for PAC-Nitrile in the neutral pH range was determined to be 2.34 (95% confidence limits: 2.26–2.43) in the single injection run and 2.34 (95% confidence limits: 2.26–2.42) in the mixed injection run.
The determination is valid since the value of log Pow derived from these two repeated measurements falls within ±0.1 log units.
Consequently, the log Pow value of PAC-Nitrile, calculated as the mean of both determinations, is 2.34 (95% confidence limits: 2.26–2.43) in the neutral pH range.
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