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EC number: 942-532-4 | CAS number: -
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental Starting Date: 07 July 2014; Experimental Completion Date: 16 September 2014
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method C.2 (Acute Toxicity for Daphnia)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 850.1010 (Aquatic Invertebrate Acute Toxicity Test, Freshwater Daphnids)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: US EPA Ecological Effects Test Guidelines OPPTS 850.1000 “Special Considerations for Conducting Aquatic Laboratory Studies”.
- Deviations:
- no
- Principles of method if other than guideline:
- In view of the difficulties associated with the evaluation of aquatic toxicity of poorly water soluble test items, a modification of the standard method for the preparation of aqueous media was performed. An approach endorsed by several important regulatory authorities in the EU and elsewhere (ECETOC, 1996 and OECD, 2000), is to expose organisms to a saturated solution of the test item in cases where the test item is of high purity and is poorly soluble in water and in the permitted auxiliary solvents and surfactants. Using this approach, a saturated solution was prepared by stirring an excess (100 mg/L) of test item in test water for a period of 24 hours prior to removing any undissolved test item present by filtration (0.2 µm Sartorius Sartopore, first approximate 2 liters discarded in order to pre-condition the filter) to give a saturated solution of the test item.
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- Reaction mass of (3R)-3-methyl-5-[(1R,3R)-2,2,3-trimethylcyclopentyl]pentan-2-one and (3S)-3-methyl-5-[(1R,3R)-2,2,3-trimethylcyclopentyl]pentan-2-one
- EC Number:
- 942-532-4
- Molecular formula:
- C14H26O
- IUPAC Name:
- Reaction mass of (3R)-3-methyl-5-[(1R,3R)-2,2,3-trimethylcyclopentyl]pentan-2-one and (3S)-3-methyl-5-[(1R,3R)-2,2,3-trimethylcyclopentyl]pentan-2-one
- Test material form:
- other: liquid
- Details on test material:
- Identification: NACET00502
Physical state/Appearance: clear colorless liquid
Chemical name: 3-Methyl-5-((1R)-2,2,3-trimethylcyclopentyl)pentan-2-one
CAS Number: 119464-63-0 (planar)
Batch: S-13-11-1
Purity: 98.5%
Expiry Date: 24 December 2015
Storage Conditions: room temperature in the dark
Constituent 1
Sampling and analysis
- Analytical monitoring:
- yes
- Details on sampling:
- - Concentrations: 1.0, 3.2, 10, 32 and 100% v/v saturated solution (definitive test)
- Sampling method: Samples were taken from the control and each test group from the bulk test preparation at 0 and 24 hours (fresh media) and from the pooled replicates at 24 and 48 hours (old media) for quantitative analysis.
Only samples at the No Observed Effect Concentration and above were analyzed.
- Sample storage conditions before analysis: Samples were stored frozen prior to analysis. Duplicate samples were taken and stored frozen for further analysis if necessary.
Test solutions
- Vehicle:
- no
- Details on test solutions:
- TEST WATER:
Reconstituted water (ISO medium) used for both the range-finding and definitive test is defined in below:
Ingredient (mg/L) Final Concentration
CaCl2.2H2O 294
MgSO4.7H2O 123
NaHCO3 64.75
KCl 5.75
PROCEDURE:
PRELIMINARY MEDIA PREPARATION TRIAL:
Information provided indicated that the test item was insoluble in water.
Preliminary solubility work conducted indicated that the test item was practically insoluble in water using traditional methods of preparation e.g. ultrasonication and high shear mixing.
Based on this information the test item was categorized as being a ‘difficult substance’ as defined by the OECD Guidance Document on Aquatic Toxicity Testing of Difficult Substances and Mixtures (OECD 2000). Therefore a media preparation trial was conducted in order to determine the solubility of the test item under test conditions.
RANGE-FINDING TEST:
The results obtained from the preliminary media preparation trial conducted indicated that a saturated solution method of preparation was most appropriate for this test item.
The test concentrations to be used in the definitive test were determined by a preliminary range-finding test.
In the range-finding test Daphnia magna were exposed to a series of nominal test concentrations of 0.10, 1.0, 10 and 100% v/v saturated solution.
A nominal amount of test item (2250 mg) was dispersed in 22.5 liters of test water with the aid of propeller stirring at approximately 1500 rpm for 24 hours. After 24 hours the stirring was stopped and any undissolved test item was removed by filtration through a 0.2 µm Sartorius Sartopore filter (first approximate 2 liters discarded in order to pre-condition the filter). A series of dilutions was made from this saturated solution to give further test concentrations of 0.10, 1.0 and 10 % v/v saturated solution.
Each prepared concentration was inverted several times to ensure adequate mixing and homogeneity.
In the range-finding test 10 daphnids were placed in each test and control vessel and maintained in a temperature controlled room at approximately 21°C with a photoperiod of 16 hours light and 8 hours darkness for a period of 48 hours with 20 minute dawn and dusk transition periods. Each 250 mL test and control vessel contained 200 mL of test media and was covered to reduce evaporation. After 24 and 48 hours the number of immobilized daphnids were recorded.
The control group was maintained under identical conditions but not exposed to the test item.
A sample of each test concentration was taken for chemical analysis at 0 and 48 hours in order to determine the stability of the test item under test conditions. All samples were stored frozen prior to analysis. Only concentrations within the range to be used for the definitive test were analyzed.
DEFINITIVE TEST:
Based on the results of the range-finding test the following test concentrations were assigned to the definitive test: 1.0, 3.2, 10, 32 and 100% v/v saturated solution.
Experimental Preparation:
A nominal amount of test item (1100 mg) was dispersed in 11 liters of test water with the aid of propeller stirring at approximately 1500 rpm for 24 hours. After 24 hours the stirring was stopped and any undissolved test item was removed by filtration through a 0.2 µm Sartorius Sartopore filter (first approximate 2 liters discarded in order to pre-condition the filter) to give a 100% v/v saturated solution. A series of dilutions was made from this saturated solution to give further test concentrations of 1.0, 3.2, 10 and 32% v/v saturated solution.
Each prepared concentration was inverted several times to ensure adequate mixing and homogeneity.
Test organisms
- Test organisms (species):
- Daphnia magna
- Details on test organisms:
- The test was carried out using 1st instar Daphnia magna derived from in-house laboratory cultures.
Adult daphnia were maintained in 150 mL glass beakers containing Elendt M7 medium in a temperature controlled room at approximately 20°C. The lighting cycle was controlled to give a 16 hours light and 8 hours darkness cycle with 20 minute dawn and dusk transition periods. Each culture was fed daily with a mixture of algal suspension (Desmodesmus subspicatus) and Tetramin® flake food suspension. Culture conditions ensured that reproduction was by parthenogenesis. Gravid adults were isolated the day before initiation of the test, such that the young daphnids produced overnight were less than 24 hours old. These young were removed from the cultures and used for testing. The diet and diluent water are considered not to contain any contaminant that would affect the integrity or outcome of the study.
Study design
- Test type:
- semi-static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
Test conditions
- Hardness:
- The reconstituted water was diluted with deionized reverse osmosis water to give an approximate theoretical total hardness of 150 mg/L as CaCO3.
- Test temperature:
- Temperature was maintained at approximately 20°C throughout the test.
- pH:
- The reconstituted water had a pH of 7.8 ± 0.2 adjusted (if necessary) with NaOH or HCl.
- Dissolved oxygen:
- The reconstituted water was aerated until the dissolved oxygen concentration was approximately air-saturation value.
- Nominal and measured concentrations:
- Definitive Test:
Nominal test concentration (% v/v Saturated Solution): 3.2, 10, 32, 100
Time Weighted Mean Measured Test Concentration (mg/L): 0.13, 0.39, 0.62, 1.47 - Details on test conditions:
- DEFINITIVE TEST:
Exposure conditions:
As in the range-finding test 250 mL glass jars containing approximately 200 mL of test preparation were used. At the start of the test 5 daphnids were placed in each test and control vessel at random, in the test preparations. Four replicate test and control vessels were prepared. The test vessels were then covered to reduce evaporation and maintained in a temperature controlled room at approximately 20°C with a photoperiod of 16 hours light (639 to 659 lux) and 8 hours darkness with 20 minute dawn and dusk transition periods. The daphnids were not individually identified, received no food during exposure and the test vessels were not aerated.
The control group was maintained under identical conditions but not exposed to the test item.
Semi-static test conditions were employed in the test in an effort to maintain dissolved test item concentrations. For the test media renewal at 24 hours, the test concentrations were freshly prepared and the daphnids transferred by wide bore pipette from the 24-Hour old test media into the fresh test media. Concentrations at which 100% immobilization was observed after 24 hours exposure were not renewed.
EVALUATIONS:
Test Organism Observations:
Any immobilization or adverse reactions to exposure were recorded at 24 and 48 hours after the start of exposure. The criterion of effect used was that daphnia were considered to be immobilized if they were unable to swim for approximately 15 seconds after gentle agitation.
Water Quality Criteria:
The water temperature, pH and dissolved oxygen concentrations were recorded daily throughout the test. The measurements at 0 hours and after the test media renewal at 24 hours represent those of the freshly prepared test preparations while the measurements taken prior to the test media renewal, and on termination of the test after 48 hours, represent those of the used or 24-Hour old test preparations. The pH and dissolved oxygen concentration were measured using a Hach HQ30d Flexi handheld meter whilst the temperature was measured using a Hanna Instruments HI 93510 digital thermometer.
The temperature was also measured every hour in one replicate of the control using a Testo temperature logger. - Reference substance (positive control):
- yes
- Remarks:
- potassium dichromate
Results and discussion
Effect concentrationsopen allclose all
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 0.24 mg/L
- Nominal / measured:
- meas. (TWA)
- Conc. based on:
- test mat.
- Remarks:
- (time-weighted mean measured concentration)
- Basis for effect:
- mobility
- Remarks on result:
- other: 95% Confidence Limits: 0.22 - 0.27 mg/L
- Duration:
- 48 h
- Dose descriptor:
- NOEC
- Effect conc.:
- 0.13 mg/L
- Nominal / measured:
- meas. (TWA)
- Conc. based on:
- test mat.
- Remarks:
- (time-weighted mean measured concentration)
- Basis for effect:
- mobility
- Duration:
- 48 h
- Dose descriptor:
- LOEC
- Effect conc.:
- 0.39 mg/L
- Nominal / measured:
- meas. (TWA)
- Conc. based on:
- test mat.
- Remarks:
- (time-weighted mean measured concentration)
- Basis for effect:
- mobility
- Details on results:
- RANGE-FINDING TEST:
Cumulative immobilization data from the exposure of Daphnia magna to the test item during the range-finding test are given in Table 1.
No immobilization was observed at the test concentrations of 0.10 and 1.0% v/v saturated solution. However, immobilization was observed at 10 and 100% v/v saturated solution.
Based on this information test concentrations of 1.0, 3.2, 10, 32 and 100% v/v saturated solution were selected for the definitive test.
Chemical analysis of the test preparations at 0 hours showed measured test concentrations to range from 0.055 to 3.61 mg/L. There was a significant decline in the measured concentrations at 48 hours to between 0.043 and 1.04 mg/L indicating that the test item was not stable under test conditions.
DEFINITIVE TEST:
Verification of Test Concentrations:
Analysis of the freshly prepared test media at 0 and 24 hours showed measured test concentrations to range from 0.14 to 3.52 mg/L. A decline in measured test concentration was observed in the old or expired test media at 24 and 48 hours to between 0.11 and 2.4 mg/L and hence it was considered appropriate to calculate the results based on the time-weighted mean measured test concentration only in order to give a “worst case” analysis of the data.
The time-weighted mean measured test concentrations were determined to be:
Nominal test concentration (% v/v Saturated Solution): 3.2, 10, 32, 100
Time Weighted Mean Measured Test Concentration (mg/L): 0.13, 0.39, 0.62, 1.47
Immobilization Data:
Cumulative immobilization data from the exposure of Daphnia magna to the test item during the definitive test are given in Table 2.
Analysis of the immobilization data by the trimmed Spearman-Karber method (Hamilton et al, 1977) at 24 and 48 hours based on the time-weighted mean measured test concentrations gave the following results:
24 h EC50: 0.40 mg/L
48 h EC50: 0.24 mg/L
The No Observed Effect Concentration after 24 and 48 hours exposure was 0.13 mg/L. The Lowest Observed Effect Concentration after 24 and 48 hours exposure was 0.39 mg/L.
VALIDATION CRITERIA:
The test was considered to be valid given that none of the control daphnids showed immobilization or other signs of disease or stress and that the oxygen concentration at the end of the test was ≥3 mg/L in the control and test vessels.
WATER QUALITY CRITERIA:
Temperature was maintained at approximately 20°C throughout the test, while there were no treatment related differences for oxygen concentration or pH.
The water temperature which was also recorded in a control vessel approximately every hour using a Testo temperature logger (see Figure 2) ranged from 20°C to 21°C.
OBSERVATIONS ON TEST ITEM SOLUBILITY:
Throughout the duration of the test all control and test solutions were observed to be clear colorless solutions. - Results with reference substance (positive control):
- A positive control used potassium dichromate as the reference item at concentrations of 0.32, 0.56, 1.0, 1.8 and 3.2 mg/L.
Exposure conditions for the positive control were similar to those in the definitive test.
Analysis of the immobilization data by the maximum-likelihood probit method (Finney, 1971) at 24 hours and by the trimmed Spearman-Karber method (Hamilton et al 1977 ) at 48 hours using the ToxCalc computer software package (ToxCalc, 1999) based on the nominal test concentrations gave the following results:
24 h EC50: 0.87 mg/L
24 h NOEC: 0.56 mg/L
24 h LOEC: 1.0 mg/L
48 h EC50: 0.71 mg/L
48 h NOEC: 0.56 mg/L
48 h LOEC: 1.0 mg/L
The No Observed Effect Concentration is based upon zless than 10% immobilization at this concentration.
The results from the positive control with potassium dichromate were within the normal range for this reference item.
Any other information on results incl. tables
Table 1 Cumulative Immobilization Data in the Range-finding Test
Nominal |
Cumulative Immobilized Daphnia |
|
24 Hours |
48 Hours |
|
Control |
0 |
0 |
0.10 |
0 |
0 |
1.0 |
0 |
0 |
10 |
0 |
1 |
100 |
10 |
10 |
Table 2 Cumulative Immobilization Data in the Definitive Test
Nominal Concentration |
Time-Weighted Mean Measured Test Concentration |
Cumulative Immobilized Daphnia |
|||||||||||
24 Hours |
48 Hours |
||||||||||||
R1 |
R2 |
R3 |
R4 |
Total |
% |
R1 |
R2 |
R3 |
R4 |
Total |
% |
||
Control |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
|
1.0 |
- |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
3.2 |
0.13 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
10 |
0.39 |
0 |
0 |
3 |
2 |
5 |
25 |
3 |
5 |
5 |
5 |
18 |
90 |
32 |
0.62 |
5 |
5 |
5 |
5 |
20 |
100 |
5 |
5 |
5 |
5 |
20 |
100 |
100 |
1.47 |
5 |
5 |
5 |
5 |
20 |
100 |
5 |
5 |
5 |
5 |
20 |
100 |
R1– R4= Replicates 1 to 4
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- Exposure of Daphnia magna to the test item has been investigated and gave the following results based on the time-weighted mean measured test concentrations:
48 h EC50: 0.24 mg/L
The No Observed Effect Concentration after 24 and 48 hours exposure was 0.13 mg/L. The Lowest Observed Effect Concentration after 24 and 48 hours exposure was 0.39 mg/L. - Executive summary:
Introduction:
A study was performed to assess the acute toxicity of the test item to Daphnia magna. The method followed was designed to be compatible with the OECD Guidelines for Testing of Chemicals (April 2004) No 202, "Daphnia sp., Acute Immobilisation Test" referenced as Method C.2 of Commission Regulation (EC) No. 440/2008 and the US EPA Draft Ecological Effects Test Guidelines OPPTS 850.1010 (April 1996).
Methods:
Information provided by the Sponsor indicated the test item was insoluble in water.
Preliminary solubility work conducted indicated that it was not possible to obtain a testable solution of the test item using traditional methods of preparation e.g. ultrasonication and high shear mixing.
A preliminary media preparation trial indicated that a saturated solution method of preparation was most appropriate for this test item.
Following a preliminary range-finding test, twenty daphnids (4 replicates of 5 animals) were exposed to an aqueous solution of the test item at nominal concentrations of 1.0, 3.2, 10, 32 and 100% v/v saturated solution for 48 hours at a temperature of approximately 20°C under semi- static test conditions. The test item solutions were prepared by stirring an excess (100 mg/L) of test item in test water using a propeller stirrer at approximately 1500 rpm for24hours. After the stirring period any undissolved test item was removed by filtration (0.2 µm Sartorius Sartopore filter, first approximate 2 liters discarded in order to pre-condition the filter) produce a 100% v/v saturated solution. This saturated solution was then further diluted as necessary, to provide the remaining test concentrations. Immobilization and any adverse reactions to exposure were recorded after 24 and 48 hours.
Results:
Analysis of the freshly prepared test media at 0 and 24 hours showed measured test concentrations to range from 0.14 to 3.5 mg/L. A decline in measured test concentration was observed in the old or expired test media at 24 and 48 hours to between 0.11 and 2.4 mg/L and hence it was considered appropriate to calculate the results based on the time-weighted mean measured test concentration only in order to give a “worst case” analysis of the data.
Exposure of Daphnia magna to the test item gave the following results based on the time-weighted mean measured test concentrations:
Time Point
(Hours)
EC50
(mg/L)95% Confidence Limits (mg/L)
No Observed Effect Concentration (NOEC) (mg/L)
Lowest Observed Effect Concentration (LOEC) (mg/L)
48
0.24
0.22
-
0.27
0.13
0.39
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