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EC number: 640-001-9 | CAS number: 958445-54-0
- 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
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- November 17, 2009 - November 19, 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: guideline study conducted under GLP compliance with acceptable restriction
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- GLP compliance:
- yes
Test material
- Reference substance name:
- MeDONA
- IUPAC Name:
- MeDONA
- Details on test material:
- - Name of test material (as cited in study report): MeDONA
- Substance type: single-constituent substance
- Physical state: Clear and colorless liquid
- Analytical purity: 98.9%
- Purity test date: 2/17/2009
- Lot/batch No.::NB 140499-21-8
- Expiration date of the lot/batch :08/25/2014
- Stability under test conditions: Stable
- Storage condition of test material: Frozen
Constituent 1
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling intervals for the parent products: Five sampling times for MeDONA in pure water were 18, 23, 27, 32, and 38 minutes. Three sampling times for MeDONA at 397 ppb in pH 2 water were 18, 52, and 87 minutes; Six sampling times for MeDONA at 510 ppb in pH 2 water were 19, 52, 87, 121,156, and 189 minutes,
- Sampling method: inject into GC/MS
- Sampling methods for the volatile compounds, if any: none
- Sampling intervals/times for pH measurements: same as sampling interval for the parent products;
- Sampling intervals/times for sterility check: none
- Sample storage conditions before analysis: no storage - Buffers:
- - pH: 2, and unbuffered milli-Q water
- Type and final molarity of buffer: not given
- Composition of buffer: not given - Details on test conditions:
- TEST SYSTEM
- Type, material and volume of test flasks, other equipment used: 42 mL vial
- Sterilisation method: None
- Lighting: None
- Measures taken to avoid photolytic effects: None
- Measures to exclude oxygen: None
- Details on test procedure for unstable compounds: None
- Details of traps for volatile, if any: vials were sealed.
- If no traps were used, is the test system closed/open: closed
- Is there any indication of the test material adsorbing to the walls of the test apparatus? not reported
TEST MEDIUM
- Volume used/treatment; 42 mL
- Kind and purity of water: Milli-Q water (18.2 MΩ-cm)
- Preparation of test medium: None.
- Renewal of test solution: None
- Identity and concentration of co-solvent: Acetone
OTHER TEST CONDITIONS
- Adjustment of pH:
- Dissolved oxygen:
Duration of test
- Duration:
- 38 min
- Initial conc. measured:
- 510 ng/L
- Number of replicates:
- 5
Results and discussion
- Transformation products:
- yes
Identity of transformation products
- No.:
- #1
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- DONA
- Identifier:
- other: Short name
- Identity:
- DONA
- Details on hydrolysis and appearance of transformation product(s):
- - Formation and decline of each transformation product during test: The test substance MeDONA hydrolyzes to the protonated acid form of DONA.
- Pathways for transformation: CF3OCF2CF2CF2OCFHCF2CO2CH3 + H2O -----> CF3OCF2CF2CF2OCFHCF2CO2H
- Other:
Dissipation DT50 of parent compound
- pH:
- 7
- DT50:
- >= 1.05 - <= 4.31 min
- Type:
- (pseudo-)first order (= half-life)
- Remarks on result:
- other: T1/2 = 0.693/kh where kh = 0.2582 derives from y=0.2582t - 1.1614, R^2 =0.9744 where y = - ln[MeDONA]t/[MeDONA]0
- Details on results:
- Five samples of MeDONA at about 510 ppb were prepared by spiking 18 µL of MeDONA in acetone into 42 mL of pure water in test vial. The samples were analyzed at 18, 23, 27, 32, and 38 minutes by GC/MS. The hydrolysis half-life was so fast that only three samples were above the LOQ (Table 1). A plot of - In[MeDONA]t/[MeDONA]0 versus time shown in Figure 1. The linearity of the curve was acceptable (R^2 = 0.9744) and kh was determined to be 0.2582. Using the relationship T1/2 = 0.693/kh, the half life of MeDONA in pure water was determined to be 2.68 ±1.63 minutes.
Three samples of MeDONA at 397 ppb in pH 2 water were prepared and analyzed at 18, 52, and 87 minutes; six samples of MeDONA at 510 ppb in pH 2 water were analyzed at 19, 52, 87, 121,156, and 189 minutes. A plot of - In[MeDONA]t/[MeDONA]0 versus time shown in Figure 2. The linearity at the curve was excellent (R^2 = 0.9988) and kh was determined to be 0.0132. Using the relationship T1/2 = O.693/kh , the half life at pH 2 was determined to be 52.50 ± 1.99 minutes.
Any other information on results incl. tables
pH |
Time (min) |
Initial concentration C0 (ppb) |
Concentration at sampling time Ct (ppb) |
-ln(Ct/C0) |
Neutral |
18 |
510 |
17.198 |
3.38962926 |
23 |
510 |
3.455 |
4.99472721 |
|
27 |
510 |
1.725 |
5.68929383 |
|
32 |
510 |
<LOQ |
|
|
38 |
510 |
<LOQ |
|
|
|
|
|
|
|
2 |
18 |
397 |
425.84 |
-0.070118 |
52 |
397 |
273.34 |
0.37320886 |
|
87 |
397 |
160.78 |
0.90387443 |
|
18 |
510 |
500.08 |
0.01963664 |
|
52 |
510 |
329.83 |
0.43582729 |
|
87 |
510 |
211.64 |
0.87953818 |
|
121 |
510 |
134.72 |
1.33123444 |
|
156 |
510 |
86.07 |
1.77997855 |
|
189 |
510 |
55.031 |
2.2265177 |
Applicant's summary and conclusion
- Conclusions:
- The half-life of MeDONA in pure water and ambient temperature was determined to be 2.68 ± 1.63 minutes.
- Executive summary:
About 510 ppb of MeDONA was suspended into unbuffered water at ambient temperature. The quantity of MeDONA was measured from 18 - 38 minutes using GC/MS. In addition, about 397 ppb and 510 ppb of MeDONA were suspended in pH 2 water, and the quantity of MeDONA was measured from 18 -189 minutes. The hydrolysis was measured by the disappearance of parent compound MeDONA. The results showed hydrolysis of MeDONA to form DONA with a half-life of 2.68 ± 1.63 minutes in pure water (laboratory grade 18.2 MΩ water), and 52.5 ± 1.99 minutes at pH 2 water. This is a guideline study conducted under GLP. A rather large error occurs in the half-life, due to the limited number of data points. However, the measured half-life was far less than the regulatory guidance of 1 hour. Therefore, it is considered to be reliable with acceptable restriction.
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