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EC number: 204-310-9 | CAS number: 119-27-7
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- June 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- not specified
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- DNAN, a light yellow powder, provided by Defense Research and Development Canada (Valcartier, QC) and used as received.
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- Pow
- Partition coefficient:
- ca. 38.02
- Temp.:
- 22 °C
- pH:
- 6.7
- Conclusions:
- Kow of 2,4-dinitroanisole is 38.02.
- Executive summary:
The report summarizes findings on the environmental fate and ecological impact of DNAN. Aqueous solubility (Sw), octanol/water partition coefficients (Kow), sorption and stability of DNAN in two soils (DRDC-08 and DRDC-09 as provided by DRDC) were measured.
The study followed OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method), and found Kow of DNAN to be 38.02.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 2014
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- not specified
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- DNAN (98.4%) was provided by Defense Research and Development Canada (Valcartier, QC).
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 1.58
- Temp.:
- 58 °C
- pH:
- ca. 5.5
- Details on results:
- The octanol/water partition coefficient, logKow, for DNAN and its reduced products followed the order: DNAN > 2-ANAN > 4-ANAN > DAAN (Table 2), which is the exact opposite of the observed solubility trend. Successive replacement of the ANO2 groups by ANH2 groups in DNAN therefore reduces the hydrophobicity. The precursor, DNAN, which is less soluble than any of its amine derivatives, exhibited a higher logKow value (1.58). The fully reduced DAAN, which partially ionizes in water, is very polar and has a marked preference for water over organic solvents (logKow < 1).
- Conclusions:
- Log Kow of 2,4-dinitroanisole is 1.58 at 25°C, pH 5.5
- Executive summary:
Reduction of DNAN with either zero valent iron or bacteria regioselectively produced 2-amino-4-nitroanisole (2-ANAN) which, under strict anaerobic conditions, gave 2,4-diaminoanisole (DAAN). Hydrolysis under environmental conditions was insignificant whereas photolysis gave photodegradable intermediates 2-hydroxy-4-nitroanisole and 2,4-dinitrophenol. Physicochemical properties of DNAN and its amino products drastically depended on the type and position of substituent(s) on the aromatic ring.
Sw followed the order (TNT < DNAN < 2-ANAN < 4-ANAN < DAAN), whereas logKow followed the order (DAAN < 4-ANAN < 2-ANAN < DNAN < TNT). In soil, successive replacement of ANO2 by ANH2 in DNAN enhanced irreversible sorption and reduced bioavailability under oxic conditions.
The study followed OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method). Log Kow of 2,4-dinitroanisole was determined to be 1.58 at 25°C, pH 5.5
Referenceopen allclose all
Description of key information
For this endpoint 2 different independent sources of data were provided. Every information provided is relevant for this endpoint, even if the information from each single source alone could be judged insufficient, as these studies did not followed strictly established guidelines, under GLP conditions.
Despite, a strong consistency in the results presented in both studies used for this endpoint was noticed, leading to conclude that combined weight is substantial for allowing an expert judgement.
In fact, every studies presented for this endpoint, not following strictly established guidelines, but these studies all concluded on the same key value: log Kow of the substance (i.e. 2,4 -dinitroanisole) is 1.58.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.58
- at the temperature of:
- 25 °C
Additional information
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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