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EC number: 210-933-7 | CAS number: 626-17-5
- 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:
- 29 November 2019 - 10 December 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- GLP study to current guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Specific details on test material used for the study:
- Chemical name: 1,3-dicyanobenzene
CAS number: 626-17-5
Batch/Lot number: JB1906150101
Appearance: Off White Solid Flakes
Purity: 99.8 w/w %
Expiry date: 15 June 2020
Storage conditions: Room temperature (15-25 ºC, below 70% relative humidity), Protected from humidity (tight closed container)
Safety precautions: Routine safety precautions (lab coat, gloves, safety glasses, face mask) for unknown materials were applied to assure personnel health and safety. - Key result
- Water solubility:
- > 222.3 - < 243 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- > 3 - < 5 d
- Temp.:
- 20 °C
- pH:
- > 6.4 - < 7
- Remarks on result:
- other:
- Remarks:
- Day 1
- Key result
- Water solubility:
- > 322.4 - < 357.5 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- > 3 - < 5 d
- Temp.:
- 20 °C
- pH:
- > 6.4 - < 7
- Remarks on result:
- other:
- Remarks:
- Day 2
- Key result
- Water solubility:
- > 350.7 - < 403.1 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- > 3 - < 5 d
- Temp.:
- 20 °C
- pH:
- > 6.4 - < 7
- Remarks on result:
- other:
- Remarks:
- Day 3
- Details on results:
- After the incubation period, the test item formed white color suspension with the water, so undissolved test item remained in the flasks.
The pH of the blank water and the filtered clear samples were 7.0 and 6.4, respectively.
Filtered samples were analyzed using the validated HPLC method. The measured test item concentrations are summarized above. - Conclusions:
- Water solubility of the test item is given as the mean of the concentrations measured on the second (334.2 mg/L) and third days (380.5 mg/L).
The water solubility of Isophthalonitrile is 357.3 mg/L at 20 ± 0.5 °C.
The relative standard deviation of the results observed on Day 2 and 3 is 9%, which is in accordance with the specification of the guideline (≤15 %). - Executive summary:
Water solubility of the test item is given as the mean of the concentrations measured on the second (334.2 mg/L) and third days (380.5 mg/L).
The water solubility of Isophthalonitrile is 357.3 mg/L at 20 ± 0.5 °C.
Reference
After the incubation period, the test item formed white color suspension with the water, so undissolved test item remained in the flasks.
The pH of the blank water and the filtered clear samples were 7.0 and 6.4, respectively.
Filtered samples were analyzed using the validated HPLC method. The measured test item concentrations are summarized in Table 3.
Test item concentration of filtered water samples
Replicate samples
|
Test item concentration of filtered water samples (mg/L) |
|||
Day 1 |
Day 2 |
Day 3 |
Mean of Day 2 and 3 (Water solubility in mg/L) |
|
1 |
240.9 |
322.6 |
403.1 |
357.3 |
2 |
243.0 |
357.5 |
387.8 |
|
3 |
222.3 |
322.4 |
350.7 |
|
MEAN |
235.4 |
334.2 |
380.5 |
|
RSD |
4.8% |
6.0% |
7.1% |
9% |
Water solubility of the test item is given as the mean of the concentrations measured on the second (334.2 mg/L) and third days (380.5 mg/L).
The water solubility of Isophthalonitrile is 357.3 mg/L at 20 ± 0.5 °C.
The relative standard deviation of the results observed on Day 2 and 3 is 9%, which is in accordance with the specification of the guideline (≤15 %).
Description of key information
Water solubility of the test item is given as the mean of the concentrations measured on the second (334.2 mg/L) and third days (380.5 mg/L).
The water solubility of Isophthalonitrile is 357.3 mg/L at 20 ± 0.5 °C.
The relative standard deviation of the results observed on Day 2 and 3 is 9%, which is in accordance with the specification of the guideline (≤15 %).
Key value for chemical safety assessment
- Water solubility:
- 357.3 mg/L
- at the temperature of:
- 20 °C
Additional information
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