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Diss Factsheets
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EC number: 212-832-3 | CAS number: 872-85-5
- 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
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Scientifically acceptable calculation method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: software application
- Title:
- US EPA . Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.10 . United States Environmental Protection Agency, Washington, DC, USA ; AOPWIN™ Version 1.92 [2010]
- Author:
- U.S. Environmental Protection Agency 1200 Pennsylvania Ave., N.W. (Mail Code 7406M) Washington, DC 20460
- Year:
- 2 013
- Bibliographic source:
- http://www.epa.gov/oppt/exposure/pubs/episuite.htm
Materials and methods
Test guideline
- Guideline:
- other: REACH guidance on QSARs Chapter R.6 , May 2008
- Principles of method if other than guideline:
- The phototransformation in air of the test substance was determined by calculation with the help of the computer program from US-EPA (EPIWIN software AOPWIN v1.92). This program estimates the gas-phase reaction rate between hydroxyl radicals and the desired chemical. Also the atmospheric half-life is automatically calculated.
- GLP compliance:
- no
- Remarks:
- (not applicable)
Test material
- Reference substance name:
- Isonicotinaldehyde
- EC Number:
- 212-832-3
- EC Name:
- Isonicotinaldehyde
- Cas Number:
- 872-85-5
- Molecular formula:
- C6H5NO
- IUPAC Name:
- pyridine-4-carbaldehyde
- Test material form:
- not specified
- Details on test material:
- - Name of test material (as cited in study report) : 4-Pyridinecarboxaldehyde , (Pyridin-4-aldehyd)
- SMILES : O=Cc(ccnc1)c1
Constituent 1
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
Not applicable
Study design
- Estimation method (if used):
- PHOTOCHEMICAL REACTION WITH OH RADICALS
- Concentration of OH radicals: 1.5 E6 molecules/cm3
- Temperature for which rate constant was calculated: 25°C
- Computer programme: AOPWIN v1.92
- calculated t 1/2 is based on 12 hours - Light source:
- not specified
- Details on light source:
- Not applicable
- Details on test conditions:
- The computer program estimates the gas-phase reaction rate for the reaction between the most prevalent atmospheric oxidant (hydroxyl radicals) and the desired chemical. For olefins and acetylenes the gas-phase ozone radical reaction rates are estimated as well. Additional information is given by the program if nitrate radical reaction will be important. The assumed average hydroxyl radical and ozone concentration are automatically used to calculate the atmospheric half-live for the chemical of interest.
- Reference substance:
- no
- Remarks:
- (not applicable)
Results and discussion
- Preliminary study:
- Not applicable
- Test performance:
- No remarks necessary.
Dissipation half-life of parent compound
- DT50:
- 7.521 h
Degradation rate constant
- Reaction with:
- OH radicals
- Rate constant:
- 0 cm³ molecule-1 d-1
- Transformation products:
- not measured
- Results with reference substance:
- Not applicable
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Remarks:
- (Scientifically accepted calculation method.)
- Conclusions:
- The study report describes a scientifically accepted calculation method for the phototransformation in air using the US-EPA software AOPWIN v1.92. No GLP criteria are applicable for the usage of this tool and the QSAR estimation is easily repeatable.
- Executive summary:
The phototransformation in air of the test substance was determined by the computer program AOPWIN v1.92 (EPIWIN software) by US-EPA . The program estimates the gas-phase reaction rate for the reaction between the most prevalent atmospheric oxidant (hydroxyl radicals) and the desired chemical. For Pyridine-4-aldehyde an overall gas-phase reaction constant (also called OH rate constant) of 17.0657 E-012 cm³/molecules-sec (= 1.47448 E-006 cm³/molecules-day) and an atmospheric half-life of 0.627 days (7.521 hours) was calculated. Neither an ozone reaction nor any nitrate radical reaction is important for the chemical.
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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