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Diss Factsheets
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EC number: 700-617-1 | 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2014-05-19 to 2014-05-24
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted in accordance with relevant test method and in compliance with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Remarks:
- Measured concentration differed by 17.6% . The deviation was accepted because the analytical method, including critical liquid and extraction were assumed to have an extended uncertainty.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- yes
- Remarks:
- Measured concentration differed by 17.6% . The deviation was accepted because the analytical method, including critical liquid and extraction were assumed to have an extended uncertainty.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of inspection: 2013-06-03/05, Date of signature: 2013-11-05
- Type of method:
- flask method
- Specific details on test material used for the study:
- - Stability under test conditions: Hydrolytically stable at pH 7 and reduced oxygen conditions (NOACK lab study code 140324FZ/CPH15825)
- Water solubility:
- 50.8 mg/L
- Temp.:
- 20 °C
- pH:
- 8
- Remarks on result:
- other: Isomer 1: 3-(3,3-dimethyl-2,3-dihydro-1H-inden-5-yl)propanal has a water solubility value of approximately 51 mg/l
- Water solubility:
- 40.8 mg/L
- Temp.:
- 20 °C
- pH:
- 8
- Remarks on result:
- other: Isomer 2: 3-(1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)propanal has a water solubility value of approximately 41 mg/l
- Water solubility:
- 3.34 mg/L
- Temp.:
- 20 °C
- pH:
- 8
- Remarks on result:
- other: Isomer 3: 3-(1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)propanal has a water solubility value of approximately 3.3 mg/l
- Details on results:
- Method validation:
Linearity:
The analytical system gave a linear response in the range of 5 -100 µg/l. Single determination of 7 standard concentrations were made. The coefficient of regression (r2) of the calibration curve was >0.992. The system quantification limit for the analyte was set to 5 µg/l based on the calibration and requirements of the study. A S/N of >11 was provided and verified by limit of detection (LOD) determination. The LOD was determined to be 2 µg/l confirmed by a signal-to-noise ratio (S/N) of at least 6.
Limit of Quantification (LOQ):
The LOQ was defined as 10 µg/l and checked by means of accuracy.
Accuracy and precision:
Mean recovery rates were 92% for the 1xLOQ and 95% for the 5xLOQ, indicating sufficient accuracy of the analytical method.
In addition, the precision of both fortification levels was satisfying with a coefficient of determination of ≤3.2%.
Specificity:
Response of blank samples were significantly lower than 30% of LOQ. Analyses were performed with GC-MS as selective detector. At least three specific ions (ideally with an m/z ratio of >100) were taken for quantification. The spectra of sample peaks were compared against spectra obtained from standards. - Conclusions:
- Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
- Executive summary:
The water solubility of the individual constituents of the test substance was determined using a relevant test method.
The result is considered to be reliable.
Reference
Preliminary study:
The water solubility determined was in the range of 102 mg/l resulting in an application dose of 500 mg/l as a fivefold of the expected solubility.
pH check
The measured pH value of test mixture was 8 at any sampling interval (24, 48, 72h) and for both replicates.
Tyndall effect check
Negative at all sampling times.
Water solubility results
Water solubility result at 20°C for test sample (sum of three isomers)
Sample |
Replicate No |
Concentration2(mg/l) |
Mean (mg/l) |
24 h |
1 |
102 |
101 |
|
2 |
99.0 |
|
48 h |
1 |
99.7 |
98.9 |
|
2 |
98.0 |
|
72 h |
1 2 |
89.6 81.4 |
85.5 |
mean (24 – 72 h) |
|
|
95.0 |
Deviation[%]1 |
|
|
17.6 |
1 calculated
2 calculated from triplicate samples
Isomer ratio [%]: determined by relative proportion of each isomer by peak area
|
[%] |
|
|||||
Sample |
24 h |
48 h |
72 h |
Mean1 |
|||
Replicate |
1 |
2 |
1 |
2 |
1 |
2 |
|
Isomer 1 |
53.3 |
53.0 |
53.2 |
53.9 |
53.9 |
53.9 |
53.5 |
Isomer 3 |
3.46 |
3.46 |
3.37 |
3.52 |
3.64 |
3.64 |
3.52 |
Isomer 2 |
43.2 |
43.5 |
43.4 |
42.6 |
42.5 |
42.5 |
43.0 |
sum |
100 |
100 |
100 |
100 |
100 |
100 |
100 |
Isomer ratio [mg/l]: determined by relative proportion of each isomer by peak area
|
[mg/l] |
|
|||||
Sample |
24 h |
48 h |
72 h |
Mean1 |
|||
Replicate |
1 |
2 |
1 |
2 |
1 |
2 |
|
Test item |
102 |
99.0 |
99.7 |
98 |
89.6 |
81.4 |
95.0 |
Isomer 1 |
54.4 |
52.5 |
53.0 |
52.8 |
48.3 |
43.9 |
50.8 |
Isomer 3 |
3.53 |
3.43 |
3.36 |
3.45 |
3.26 |
2.96 |
3.34 |
Isomer 2 |
44.1 |
43.1 |
43.3 |
41.7 |
38.1 |
34.6 |
40.8 |
1 Mean value of 24 – 72 h
Description of key information
Water Solubility: Isomer 1: 3-(3,3-dimethyl-2,3-dihydro-1H-inden-5-yl)propanal: 51 mg/L
Water Solubility: Isomer 2: 3-(1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)propanal: 41 mg/L
Water Solubility: Isomer 3: 3-(1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)propanal: 3.3 mg/L
Key value for chemical safety assessment
Additional information
The water solubility of the submission substance was determined using the flask method in accordance with OECD 105 and EU Method A.6 and in compliance with GLP.
For environmental exposure assessment, the water solubility of each individual isomer is relevant. Therefore, the water solubility at 20±0.5°C and pH 8 of each isomer of the submission substance was also determined and qualified based on peak area distribution as follows:
Isomer 1: 3-(3,3-dimethyl-2,3-dihydro-1H-inden-5-yl)propanal: 51 mg/L
Isomer 2: 3-(1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)propanal: 41 mg/L
Isomer 3: 3-(1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)propanal: 3.3 mg/L
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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