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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
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- July 16, 2018 to July 23, 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 830.7840 (Water Solubility)
- GLP compliance:
- yes
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Type of method:
- flask method
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
Results and discussion
Water solubility
- Key result
- Water solubility:
- 359 µg/L
- Conc. based on:
- test mat.
- Remarks:
- Sum of the n-propyl and isopropyl isomers of MTDID 50667.
- Incubation duration:
- 3 d
- Temp.:
- 23 °C
- Remarks on result:
- other: pH not measured
- Details on results:
- The water saturation equilibrium (maximal water solubility) value for MTDID 50667 was achieved after 1 day of incubation and was maintained over 3 days. The average water solubility of MTDID 50667 at Time point 1, 2, and 3 were 354 ng/mL (5% RSD), 374 ng/mL (7% RSD), and 348 ng/mL (15% RSD), respectively. The overall average water solubility was 359 ng/mL (RSD = 9.6%), equivalent to 359 µg/L.
The n-propyl and isopropyl isomers of MTDID 50667 were not chromatographically resolved during analysis, therefore, the result was reported as sum of the n-propyl and isopropyl isomers of MTDID 50667.
Any other information on results incl. tables
Table 1: Summary of MTDID 50667 water solubility (ng/mL) of at ambient temperature
Samples |
Time point 1 (day 1) |
Time point 2 (day 2) |
Time point 3 (day 3) |
|
Vial 1, Rep 1 |
372 |
393 |
289 |
|
Vial 1, Rep 2 |
362 |
388 |
292 |
|
Vial 1, Rep 3 |
334 |
393 |
279 |
|
Vial 1 Average (RSD%) |
356 (5.5%) |
391 (0.85%) |
287 (2.3%) |
|
Vial 2, Rep 1 |
358 |
399 |
380 |
|
Vial 2, Rep 2 |
385 |
393 |
377 |
|
Vial 2, Rep 3 |
356 |
377 |
NR(1) |
|
Vial 2 Average (RSD%) |
366 (4.4%) |
389 (2.9%) |
379 (0.77%)(2) |
|
Vial 3, Rep 1 |
353 |
349 |
406 |
|
Vial 3, Rep 2 |
332 |
339 |
376 |
|
Vial 3, Rep 3 |
337 |
333 |
385 |
|
Vial 3 Average (RSD%) |
341 (3.3%) |
340 (2.5%) |
389(3.9%) |
|
Intra-day Average (ng/mL) |
354 |
374 |
348 |
|
Intra-day RSD% |
5.0% (N=9) |
7.0% (N=9) |
15% (N=8) |
|
Overall Average (ng/mL) |
|
|
359 |
|
Overall RSD % |
|
|
9.6% (N= 26) |
(1) NR=Not reported. Misinjection by the
instrument. No internal standard peaks observed as well as no MTDID
50667 peak.
Vial
likely leaked.
(2)
Reported precision is relative percent difference (RPD) for duplicate
measurements.
Applicant's summary and conclusion
- Conclusions:
- Under the conditions of the study (average temperature 23°C), the average measured water solubility of MTDID 50667 in Milli-Q reagent water was 359 µg/L (RSD=9.6%).
- Executive summary:
The water solubility of MTDID 50667 was determined using a modified shake flask technique and procedures described in OPPTS 830.7840 “Water Solubility: Column Elution Method; Shake Flask Method”.
Triplicate test vessels were prepared by adding 100 µL of MTDID 50667 test substance to the bottom of a 40 mL test vial pre- filled with water to zero-headspace. Samples were then incubated horizontally at approximately 30 °C with a shaker setting of 100 revolutions per minute (RPM) for three time points (1, 2, and 3 days). At the end of each time point, the vials were removed from the incubator, centrifuged, and then placed at room temperature (22.5 - 23.4 °C) overnight to equilibrate the sample temperature. The vials were centrifuged again prior to aliquoting for analysis. Four aliquot of aqueous phase were removed from each test vessel at each time point. Three aliquots of the sample were prepared for triplicate analysis of each test vessel. A fourth aliquot was prepared in a similar fashion and then spiked with a known amount of MTDID 50667 gas standard for analysis as a laboratory matrix spike. The samples were analyzed with purge/trap GC/MS.
The average water solubility of MTDID 50667 at Time point 1, 2, and 3 were 354 µg/L, 374 µg/L, and 348 µg/L, respectively. The overall average was 359 µg/L (RSD = 9.6%). This value represents the summed total of the n-propyl and isopropyl isomers of MTDID 50667.
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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