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EC number: 212-603-8 | CAS number: 831-52-7
- 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:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- Experimental test result performed using standard OECD test guidelines
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Principles of method if other than guideline:
- The partition Coefficient n-octanol/water of test chemical was determined by Shake Flask method according to OECD Guideline No. 107 for testing of Chemicals.
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): Sodium 2-amino-4,6-dinitrophenoxide
- Common name: Sodium picramate
- Molecular formula: C6H4N3NaO5
- Molecular weight: 221.1036 g/mol
- Smiles notation: [Na+].Nc1cc(cc(c1[O-])[N+](=O)[O-])[N+](=O)[O-]
- InChl: 1S/C6H5N3O5.Na/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h1-2,10H,7H2;/q;+1/p-1
- Substance type: Organic
- Physical state: Solid
- Physical Appearance: red to brown moist powder
- Stability: Stable in recommended storage conditions
- Storage Conditions: 1. Ambient Temp (23 to 27 °C) √ (Store in a cool place. Keep containers tightly closed in a dry and well ventilated place) - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.261
- Temp.:
- 25 °C
- Remarks on result:
- other: logKow was reported to be 1.261±0.084
- Details on results:
- The Partition coefficient (POw) of the test chemical was determined to be -1.261±0.084 at 25 °C.
- Conclusions:
- The Partition coefficient (POw) on soil and on sewage sludge of the test chemical was determined to be -1.261 ± 0.084 at 25 °C.
- Executive summary:
The Partition coefficient (Pow) of test chemical at 25°C was estimated according to the OECD Guideline No. 107,”Shake Flask Method”.In this method the different volumes of a stock solution in n-octanol (pre saturated with water) by accurately weighing 0.2211 gm of test item which was introduced into 100 ml of n-octanol. The pH of aqueous phase (water phase) before the experiment was 6.3 and after the experiment for 1:1, 1:2 and 2:1 ratio was 6.1, 7.6 and 7.7 respectively. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, from the measured concentration of test chemical in the organic and aqueous phases.The log Pow value was determined to be -1.261 ± 0.084 at 25°C temperature. By considering this log Pow value it can be concluded that test chemical is hydrophilic in nature.
Reference
Table 1
Water phase |
||||||
Assay |
Ratio (n-octanol/water) |
V (ml) |
Concentration (mg/l) of test substance |
Mean concentration mg/l |
Dilution factor |
|
R1 |
R2 |
|||||
Assay-1 |
1/2 |
40 |
160.913/ 3470.011 |
0.046 |
-1.334 |
-1.261±0.084 |
Assay-2 |
1/1 |
30 |
160.913/ 3470.011 |
0.046 |
-1.334 |
-1.261±0.084 |
Assay-3 |
2/1 |
20 |
160.913/ 3470.011 |
0.046 |
-1.334 |
-1.261±0.084 |
Table 2
Octanol phase |
||||||
Assay |
Ratio (n-octanol/water) |
V (ml) |
Concentration (mg/l) of test substance |
Mean concentration mg/l |
Dilution factor |
|
R1 |
R2 |
|||||
Assay-1 |
1/2 |
20 |
160.913/3470.011 |
0.046 |
-1.334 |
-1.261±0.084 |
Assay-2 |
1/1 |
30 |
160.913/3470.011 |
0.046 |
-1.334 |
-1.261±0.084 |
Assay-3 |
2/1 |
40 |
160.913/3470.011 |
0.046 |
-1.334 |
-1.261±0.084 |
Table 3
Assay |
Ratio (n-octanol/water) |
C n-octanol/ C water |
Pow |
Log Pow |
Mean of Log Pow |
Assay-1 |
1/2 |
160.913/ 3470.011 |
0.046 |
-1.334 |
-1.261±0.084 |
Assay-2 |
1/1 |
160.913/ 3470.011 |
0.046 |
-1.334 |
|
Assay-3 |
2/1 |
160.913/ 3470.011 |
0.046 |
-1.334 |
Description of key information
Based on the available data from study report,the Partition coefficient (Pow) of test chemical at 25°C was estimated according to the OECD Guideline No. 107,”Shake Flask Method”. In this method the different volumes of a stock solution in n-octanol (pre saturated with water) by accurately weighing 0.2211 gm of test item which was introduced into 100 ml of n-octanol. The pH of aqueous phase (water phase) before the experiment was 6.3 and after the experiment for 1:1, 1:2 and 2:1 ratio was 6.1, 7.6 and 7.7 respectively. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, from the measured concentration of test chemical in the organic and aqueous phases. The log Pow value was determined to be -1.261 ± 0.084 at 25°C temperature. By considering this log Pow value it can be concluded that test chemical is hydrophilic in nature.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.261
- at the temperature of:
- 25 °C
Additional information
Based on the available data in a key study from study report,the Partition coefficient (Pow) of test chemical at 25°C was estimated according to the OECD Guideline No. 107,”Shake Flask Method”. In this method the different volumes of a stock solution in n-octanol (pre saturated with water) by accurately weighing 0.2211 gm of test item which was introduced into 100 ml of n-octanol. The pH of aqueous phase (water phase) before the experiment was 6.3 and after the experiment for 1:1, 1:2 and 2:1 ratio was 6.1, 7.6 and 7.7 respectively. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, from the measured concentration of test chemical in the organic and aqueous phases. The log Pow value was determined to be -1.261 ± 0.084 at 25°C temperature.
In a supportingstudy from peer reviewed journal andsecondary source,the partition coefficient (log Pow) value of the test chemical was determined by OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method) and was evaluated to be -2.97.
Additional studyfromsecondary source and modelling databaseindicates that the octanol waterpartition coefficient (log Pow) value of the test chemical was estimated to be -1.88.
Thus, based on the available information, the logPow valueof the test chemical ranges from -2.97 to -1.26, respectively. On the basis of this value, test chemical can be considered to behydrophilic in nature.
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