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EC number: 229-904-5 | CAS number: 6829-22-7
- 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:
- 2014-09-23 till 2015-01-21
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: OECD guideline study without restrictions.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- (1995)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- (2008)
- Deviations:
- no
- Principles of method if other than guideline:
- To determine the water solubility of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one, two different methods can be used:
− The column elution method for solubility < 1E-2 g/L.
− The flask method for solubility ≥ 1E-2 g/L.
In a preliminary test, the water solubility of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one was found to be < 1E-2 g/L. Therefore, the column elution method is chosen for the determination of the water solubility.
For the main test 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one is eluted with water from a micro-column which is charged with silica gel, previously coated with an excess of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one. At 20 °C nineteen fractions are collected at a flow rate of 12 mL/h (column 1) and ten fractions are collected at a flow rate of 24 mL/h (column 2). For each fraction 10 mL are collected. After dilution with acetonitrile the concentration of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one in the solutions is determined by HPLC-analysis. - GLP compliance:
- yes (incl. QA statement)
- Type of method:
- column elution method
- Water solubility:
- < 0 g/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 6.3 - <= 6.8
- Key result
- Water solubility:
- ca. 11 µg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 6.3 - <= 6.8
- Remarks on result:
- other: Value not reported as such but obtained after having scrutinized the raw data.
- Details on results:
- Mean value of both columns: < 0.00002 g/L
Result of the preliminary test: 0.0022 g/L
The pH was in the range of 6.3 - 6.8. - Conclusions:
- Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
The water solubility of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one determined by the column elution method at 20 °C and was about 11 µg/L. - Executive summary:
The water solubility of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one is determined by the column elution method using the methods of OECD Guideline 105 “Water solubility“ (1995) and the EC Guideline A.6 “Water solubility” (2008). The mean value of the both columns was < 0.00002 g/L at 20 °C. An in-depth-evaluation using the original raw data yielded in a water solubility of about 11 µg/L.
Reference
Solution of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one
Initial weight: 25.5 mg / 50 mL
Solvent: Tetrahydrofuran
Content of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one: 99.9 %
Loading of the support
Support material: Chromosorb W/AW (0.15-0.18 mm), Merck
Initial weight of the support material: 600 mg
Volume of the solution of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one: 10 mL
Test temperature: 20 °C ± 0.5 °C
The concentrations of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one in the fractions were determined by HPLC. Nineteen fractions were collected from column 1 and ten fractions from column 2. Ten data points are listed in the following table including the five fractions with constant concentrations, which were used for the determination of the water solubility (marked with *). For each fraction 10 mL were collected.
The following table shows the results as given by the study report.
Column 1 (12 mL/h) | Column 2 (24 ml L/h) | ||||
Fraction no. | pH value | Concentration | Fraction no. | pH value | Concentration |
[β] = g/L | [β] = g/L | ||||
9 | 6.5 | < 0.00002 | 1 | 6.4 | 0.000024 |
10 | 6.6 | < 0.00002 | 2 | 6.3 | < 0.00002 |
11 | 6.7 | < 0.00002* | 3 | 6.5 | < 0.00002 |
12 | 6.5 | < 0.00002* | 4 | 6.6 | < 0.00002 |
13 | 6.5 | < 0.00002* | 5 | 6.7 | < 0.00002* |
14 | 6.7 | < 0.00002* | 6 | 6.7 | < 0.00002* |
15 | 6.6 | < 0.00002* | 7 | 6.5 | < 0.00002* |
16 | 6.8 | < 0.00002 | 8 | 6.5 | < 0.00002* |
17 | 6.8 | < 0.00002 | 9 | 6.6 | < 0.00002* |
18 | 6.7 | < 0.00002 | 10 | 6.6 | < 0.00002 |
An in-depth-evaluation of the raw data was performed in order to better characterise the water solubility. The results of this evaluation are shown in the following table.
Column 1 (12 mL/h) | Column 2 (24 ml L/h) | ||||
Fraction no. | pH value | Concentration | Fraction no. | pH value | Concentration |
[β] = g/L | [β] = g/L | ||||
9 | 6.5 | 0.000016 | 1 | 6.4 | 0.000024 |
10 | 6.6 | 0.000015 | 2 | 6.3 | 0.000008 |
11 | 6.7 | 0.000016* | 3 | 6.5 | 0.000008 |
12 | 6.5 | 0.000017* | 4 | 6.6 | 0.000004 |
13 | 6.5 | 0.000017* | 5 | 6.7 | 0.000007* |
14 | 6.7 | 0.000014* | 6 | 6.7 | 0.000007* |
15 | 6.6 | 0.000017* | 7 | 6.5 | 0.000006* |
16 | 6.8 | 0.000014 | 8 | 6.5 | 0.000005* |
17 | 6.8 | 0.000015 | 9 | 6.6 | 0.000007* |
18 | 6.7 | 0.000013 | 10 | 6.6 | 0.000009 |
mean of relevant results marked with an asterix | 0.000016 | 0.000006 |
Although the lowest calibration was given as 10 µg/L, a clear signal could be seen down to 5 µg/L. Therefore the results of both column were used. A final mean value from both columns results in a water solubility of 11 µg/L.
Description of key information
The water solubility of 14H-benz[4,5]isoquino[2,1-a]perimidin-14-one determined by the column elution method at 20 °C and was 11 µg/L.
Key value for chemical safety assessment
- Water solubility:
- 11 µg/L
- at the temperature of:
- 20 °C
Additional information
The study reported a water solubility of < 0.00002 g/L. Scrutinizing the raw data indicated a value of about 11 µg/L.
A supporting study performed similar to OECD 105 yieled a result of about 8 µg/L at 22 -25°C.
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