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EC number: 695-076-0 | CAS number: 1334513-02-8
- 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:
- 01 November 2012-17 January 2013
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Propan-2-yl N-[(S)-(pentafluorophenoxy)(phenoxy)-phosphoryl]-L-alanine
- EC Number:
- 695-076-0
- Cas Number:
- 1334513-02-8
- Molecular formula:
- C18H17F5NO5P
- IUPAC Name:
- Propan-2-yl N-[(S)-(pentafluorophenoxy)(phenoxy)-phosphoryl]-L-alanine
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- - Name of test material (as cited in study report): GS-606962
- Substance type: organic
- Physical state: white powder
- Lot/batch No.: PSI-172(2)-1-1-12001
- Storage condition of test material: room temperature in the dark
Constituent 1
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 12 600
- Temp.:
- 30 °C
- pH:
- 7.37
- Type:
- log Pow
- Partition coefficient:
- 4.1
- Temp.:
- 30 °C
- pH:
- 7.37
Any other information on results incl. tables
Preliminary estimate
The log10Pow was calculated to be: 4.38
The full KOWWIN calculation is presented in Appendix 1
Definitive test
Calibration
The retention time of the dead time and the retention times, capacity factors (k1) and log10Pow values for the reference standards are shown in the following tables:
Table 2
Dead Time | Retention Time (mins) | Mean Retention Time (mins) | |
Injection 1 | Injection 2 | ||
Thiourea | 1.611 | 1.613 | 1.612 |
Table 3
Standard | Retention Time (mins) | Mean Retention Time (mins) | Capacity Factor (k') | Log10k' | Log10Pow | |
Injection 1 | Injection 2 | |||||
Benzene | 2.931 | 2.931 | 2.931 | 0.818 | -8.73x10-2 | 2.1 |
Toluene | 3.789 | 3.789 | 3.789 | 1.35 | 0.131 | 2.7 |
Naphtalene | 4.585 | 4.588 | 4.586 | 1.85 | 0.266 | 3.6 |
Phenanthrene | 8.566 | 8.566 | 8.566 | 4.31 | 0.635 | 4.5 |
Triphenylamine | 16.638 | 16.638 | 16.638 | 9.32 | 0.969 | 5.7 |
DDT | 23.321 | 23.321 | 23.321 | 13.5 | 1.13 | 6.5 |
Partition coefficient of sample
The retention times, capacity factor and Log10Pow value determined for the sample are shown in the following table:
Table 4
Injection | Retention Time (mins) | Capacity Factor (k') | Log10k' | Log10Pow |
1 | 6.519 | 3.04 | 0.483 | 4.10 |
2 | 6.519 | 3.04 | 0.483 | 4.10 |
Mean Log10Pow: 4.10
Partition coefficient: 1.26 x 104
Discussion
The result from the preliminary test indicated that the HPLC method was the most suitable for determination of partition coefficient for this test item.
The chromatography of the test item showed one sharp main peak with a well-defined and reproducible retention time. The HPLC method was therefore considered to be suitable for the purpose of the study. Based on chromatographic data, the test item was considered to be stable during the test procedure.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test item has been determined to be 12600, log10Pow 4.10.
- Executive summary:
Partition Coefficient
1.26 x 10 4, log10Pow 4.10, using the HPLC method, designed to be compatible with Method A.8 (Partition Coefficient) of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of
hemicals, 13 April 2004.
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