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EC number: 236-283-4 | CAS number: 13280-60-9
- 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
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 20 - 21 August 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- yes
- Remarks:
- Based on the guideline, this test should be conducted with the non-ionised form. However, in the environmentally relevant pH range of 5 to 9, the amount of the non-charged species is negligible as the negatively charged species dominates.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- Regulation (EC) No 440/2008
- Deviations:
- yes
- Remarks:
- Based on the guideline, this test should be conducted with the non-ionised form. However, in the environmentally relevant pH range of 5 to 9, the amount of the non-charged species is negligible, as the overall once negatively charged species dominates.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 5-amino-2-nitrobenzoic acid
- EC Number:
- 236-283-4
- EC Name:
- 5-amino-2-nitrobenzoic acid
- Cas Number:
- 13280-60-9
- Molecular formula:
- C7H6N2O4
- IUPAC Name:
- 5-amino-2-nitrobenzoic acid
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- Oxidane
- Reference substance name:
- Unknown impurities.
- Molecular formula:
- Not available as unknown impurities.
- IUPAC Name:
- Unknown impurities.
- Test material form:
- solid
- Details on test material:
- Batch / Lot No. 10044431
Constituent 1
impurity 1
impurity 2
- Specific details on test material used for the study:
- Batch no.: 10044431
Storage: At room temperature, protected from light
Study design
- Analytical method:
- liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- < -1.48
- pH:
- 7
- Remarks on result:
- other: The temperature was 21-22 °C.
- Details on results:
- CALCULATION METHOD
The log Pow value of the non-charged test item species was calculated to be 1.01 (EPI Suite™ v4.11).
FLASK METHOD
The determined log Pow values were in the range of <-1.47 to <-1.48 for all three volume ratios and all replicates. For each replicate, the mass balance calculation showed that the experiment was reliably conducted, as the recovery rates ranged from 99 to 100%. The log Pow of the test item is given as the mean value of all measurements. Detailed results are given in the table in the field 'Any other information on results incl. tables'.
Any other information on results incl. tables
DETAILED RESULTS TABLE
Ratio 1-octanol:water (v:v) | Determined concentration 1-octanol (mg/L) |
Determined concentration water (mg/L) | Pow | log Pow | pH | |
1:4 | <47.7 | 1439 | <0.0331 | <-1.48 | 7.0 | |
1:4 | <47.7 | 1423 | <0.0335 | <-1.47 | 7.0 | |
1:8 | <47.7 | 1426 | <0.0334 | <-1.48 | 7.0 | |
1:8 | <47.7 | 1431 | <0.0333 | <-1.48 | 7.0 | |
1:16 | <47.7 | 1428 | <0.0334 | <-1.48 | 7.0 |
|
1:16 | <47.7 | 1422 | <0.0335 | <-1.47 | 7.0 | |
Mean | <-1.48 |
FURTHER REMARKS
According to the guideline, this test should be conducted with the non-ionised form. However, in the environmentally relevant pH range of pH 5 to 9, the amount of the non-ionised test item species is negligible. Instead, the overall once negatively charged species dominates (see https://chemicalize.com/#/calculation). Therefore, a lower log Pow than for the non-ionised test item species of 1.01 was expected.
To ensure defined pH conditions during the test, a 10 mM phosphate buffer was used at pH 7.0±0.1.
Applicant's summary and conclusion
- Conclusions:
- The shake flask method according to the OECD guideline 107 was applied for the determination of the log Pow of 5-Amino-2-Nitrobenzoic Acid (CAS no. 13280-60-9). The determined log Pow value of 5-Amino-2-Nitrobenzoic Acid at 21-22 °C and pH 7.0 is <-1.48.
- Executive summary:
The log Pow of the test item 5-Amino-2-Nitrobenzoic Acid (CAS no. 13280-60-9) was determined according to the OECD guideline 107.
Phosphate buffer at pH 7.0, 1-octanol and the test item were equilibrated in test vessels by shaking, applying three different volume ratios of the two solvents. Subsequently, the test item concentrations were determined in both solvent phases.
The determined log Pow values were in the range of <-1.47 to <-1.48 for all three volume ratios and all replicates. For each replicate, the mass balance calculation showed that the experiment was reliably conducted, as the recovery rates ranged from 99 to 100%.
The determined log Pow value of 5-Amino-2-Nitrobenzoic Acid at pH 7.0 and 21–22 °C is <-1.48.
The validity criterion was fulfilled.
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