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EC number: 817-766-4 | CAS number: 91891-42-8
- 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:
- August 6, 2018 to August 10, 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 1,1,2,3,3-pentafluoro-3-(heptafluoropropoxy)prop-1-ene
- EC Number:
- 817-766-4
- Cas Number:
- 91891-42-8
- Molecular formula:
- C6F12O
- IUPAC Name:
- 1,1,2,3,3-pentafluoro-3-(heptafluoropropoxy)prop-1-ene
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Appearance: Clear, colorless liquid
- Source and lot/batch No.of test material: MA-3-HO-ANL1600356
- Storage condition of test material: in the dark under nitrogen away from moisture.
- Stability under test conditions: 81 days
Study design
- Analytical method:
- gas chromatography
- mass spectrometry
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.7
- Temp.:
- 23 °C
- Remarks on result:
- other: pH not measured
- Details on results:
- The measured Kow for MTDID 50667 ranged from 39700 to 54100 for the six samples with octanol-water ratios of 1:1, 1:2 and 2:1(v/v). The overall average Kow is 45400 with % RSD of 11% (N=6), equivalent to log Kow of 4.7.
Any other information on results incl. tables
Table 1. Kow for MTDID 50667
Ratio |
Sample |
Rep |
Octanol Conc. (ng/mL) |
Water Conc.(ng/mL) |
Kow |
A (1:1) |
1 |
1 |
5030000 |
111 |
|
A (1:1) |
1 |
2 |
4810000 |
108 |
|
|
Ratio A, sample 1 Avg. (RPD%) |
|
4920000 (4.4%) |
109 (2.9%) |
45000 |
A (1:1) |
2 |
1 |
5060000 |
91.6 |
|
A (1:1) |
2 |
2 |
4780000 |
90.4 |
|
|
Ratio A, sample 2 Avg. (RPD%) |
|
4920000 (5.8%) |
91.0 (1.4%) |
54100 |
|
Ratio A, Average (RPD%) |
|
|
|
49600 (18%) |
B (1:2) |
1 |
1 |
4600000 |
115 |
|
B (1:2) |
1 |
2 |
4570000 |
101 |
|
|
Ratio B, sample 1 Avg (RPD%) |
|
4580000 (0.54%) |
108 (13%) |
42500 |
B (1:2) |
2 |
1 |
4570000 |
101 |
|
B (1:2) |
2 |
2 |
4670000 |
99.1 |
|
|
Ratio B, sample 2 Avg (RPD%) |
|
4620000 (2.0%) |
99.9 (1.6%) |
46200 |
|
Ratio B, Average (RPD%) |
|
|
|
44400 (8.5%) |
C (2:1) |
1 |
1 |
3430000 |
81.3 |
|
C (2:1) |
1 |
2 |
3560000 |
73.8 |
|
|
Ratio C, sample 1 Avg. (RPD%) |
|
3490000 (3.9%) |
77.6 (9.7%) |
45000 |
C (2:1) |
2 |
1 |
3210000 |
84.3 |
|
C (2:1) |
2 |
2 |
3060000 |
73.3 |
|
|
Ratio C, sample 2 Avg. (RPD%) |
|
3130000 (4.9%) |
78.8 (14%) |
39700 |
|
Ratio C, Average (RPD%) |
|
|
|
42400 (12%) |
|
Overall Average % RSD (N=6) |
|
|
|
45400 (11%) |
|
Log Kow |
|
|
|
4.7 |
Applicant's summary and conclusion
- Conclusions:
- Under the conditions of the study (average temperature 23°C), the average measured Kow of MTDID 50667 is 45,400 (11% RSD) which corresponds to a log Kow of 4.7.
- Executive summary:
The Partition Coefficient (nOctanol/Water) of MTDID 50667 was determined according to US EPA guidance document OPPTS 830.7550 “Partition Coefficient (nOctanol/Water), Shake Flask Method.
Duplicate test vessels of three different ratios of n-octanol to water (1:1, 2:1, and 1:2) were prepared by adding appropriate amount of solution of MTDID 50667 in n-Octanol to appropriate amount of water. The test vessels were rotated 180° about their transverse axis for 100 times over a period of five minutes to ensure proper mixing of the test system solvents. After rotations, the test vessels were centrifuged for 30 minutes at a setting of 1000 RPM to ensure a visibly clear separation of layers, prior to removing sample analysis aliquots. The octanol aliquot samples were prepared by remove 50 µL of the n-octanol (top layer) and diluted with 40 mL of methanol. Duplicate 50 µL of the methanolic solution was removed and added to analysis vials containing 10 mL of reagent water. After removing the octanol aliquot, the test vessel was inverted slowly to prevent re-mixing of the solvent layers. Duplicate 1.0 mL water aliquots were sampled and dispelled into capped analysis vials containing 9.0 mL of Milli Q water. The samples were analyzed by purge/trap GC/MS.
The average measured Kow of MTDID 50667 at 23 °C is 45,400 (11% RSD) , which corresponds to a log Kow of 4.7.
This is a guideline study conducted under GLP. Therefore, it is considered reliable without restriction (Klimisch 1) and a key study.
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