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EC number: 804-777-4 | CAS number: 21962-45-8
- 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
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018-02-23 to 2018-03-15
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- flask method
Test material
- Reference substance name:
- 4-formyl-3-methoxybenzonitrile
- EC Number:
- 804-777-4
- Cas Number:
- 21962-45-8
- Molecular formula:
- C9 H7 NO2
- IUPAC Name:
- 4-formyl-3-methoxybenzonitrile
- Test material form:
- solid
Constituent 1
- Specific details on test material used for the study:
- Name: Methoxynitrilaldehyd
CAS-No.: 21962-45-8
Batch-No.: BXR8012
Physical State at Room Temperature: Solid
Colour: White
Expiry date: October 24, 2019
Storage: At room temperature (20 +/- 5 °C) in the dark
Results and discussion
Water solubility
- Key result
- Water solubility:
- 308 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 1.5 g/L
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- ca. 6.2
- Details on results:
- The analytical method for the determination complied with the following validity criteria:
Linearity: Correlation coefficient of calibration curve was ≥ 0.999.
Specificity: No interference for target analyte was observed.
Accuracy: The mean recovery values of samples fortified with the analyte was determined to be 100 % for both low and high fortification level.
Precision: The relative standard deviation of repeated analysis of five independent fortification samples was 1.4 % resp. 0.4 %.
Repeatability of Injection: One standard solution was injected five times. The relative standard deviation was 0.03 %.
Applicant's summary and conclusion
- Conclusions:
- Corresponding to the analyses the water solubility was determined to be 308 mg/L at 20 °C. Moderate water solubility was found (> 100 - 1,000 mg/L).
- Executive summary:
Title: Methoxynitrilaldehyd: Determination of the Water Solubility
Guidelines/Recommendations:
OECD Guidelines for Testing of Chemicals, Guideline No.105, ”Water Solubility”; adopted July 27, 1995
Commission Regulation (EC) No 440/2008, Annex, Part A, Methods for the determination of physico-chemicals properties, A6 "Water Solubility", May 2008
Product Properties Test Guideline of the United States Environment Protection Agency (EPA), OPPTS 830.7840 Water Solubility: Column Elution Method; Shake Flask Method, March 1998
Purpose:
The purpose of this study was to evaluate the solubility of the test item in water which is specified by the saturation mass concentration of the test item in water at a specified temperature.
Results:
The water solubility of the test item was determined using the shake flask method. The saturation mass concentrations of the test item were determined using UPLC / UV-VIS.
The results showed no tendency to increase and met all validity criteria, therefore the study is considered to be valid. Corresponding to the analyses the water solubility was determined to be 308 mg/L at 20 °C.
This study is classiefied acceptable and satisfies the guideline requirements for water solubility studies.
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