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Diss Factsheets
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EC number: 219-145-8 | CAS number: 2372-82-9
- 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
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2006
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with generally accepted scientific standards and described in sufficient detail
- Reason / purpose for cross-reference:
- reference to other study
- Principles of method if other than guideline:
- Method: Titration with 0.1M HCl in distilled water.
- GLP compliance:
- no
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- ca. 6.9
- Remarks on result:
- other: Tertiary amine
- No.:
- #2
- pKa:
- ca. 9
- Remarks on result:
- other: Primary amines
- Conclusions:
- Under the study conditions, the dissociation constant (pKa) of the test substance was determined to be approx 9 for the two primary amine groups and approx 6.9 for the tertiary amine group.
- Executive summary:
A study was conducted to determine the dissociation constant (pKa) of the test substance by titration with 0.1M HCl in distilled water. Under the study conditions, the pKa of the test substance was determined to be approximately 9 for the two primary amine groups and approximately 6.9 for the tertiary amine group (Oskarsson, 2006).
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- January 11, 2000
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7370 (Dissociation constants in water)
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- 9.3
- Temp.:
- 20 °C
- No.:
- #2
- pKa:
- 7.15
- Temp.:
- 20 °C
- Conclusions:
- Under the study conditions, the pKa values for the test substance were determined to be 9.30±0.104 and 7.15±0.054 at 20°C.
- Executive summary:
A study was conducted to determine a dissociation constant (pKa) in water for the test substance according to EPA OPPTS 830.7370. A potentiometric titration test was conducted to examine the presence of any ionizable groups. The study was performed in two tests, each with three replicates, and the measurements were taken at 20°C. All solution concentrations were calculated as 100 %, thus the actual oncentrations of the test substance were slightly lower. Under the study conditions, the pKa values for the test substance were determined to be 9.30±0.104 and 7.15±0.054 at 20°C (Flack, 2000).
Referenceopen allclose all
The test substance resulted in 2 pKa values, one at 9, which was attributed to the two primary amino groups and one at 6.9 attributed to the tertiary amine group. The three amino groups in the test substance will affect each other as a result of the short distance between them and it is expected that the central ammonium group will become the least acidic due to the two electron withdrawing terminal ammonium groups, both situated three carbon atoms away.
Further, the trend of decreasing pKa with increasing number of neighbouring ammonium groups was clearly seen from other literature evidence (Burns et al., 1996). For example, pKa of N-dodecylammonium chloride is 10.63 while for N-dodecyl-N-(aminopropyl) ammonium chloride pKa1 is 10.62 and pKa2 is 8.64. The pH dependence of the derivatives of the test substance will depend on the type of substituents attached to the primary amino groups.
Preliminary test:
During the preliminary test, there was no difference between the titration curves of CO2 free reagent water and the test wabstance solution when titrated with 0.09999N NaOH. Maxima also did not exist in the plot of the derivative of the titratin curve. Therefore, the test substance could not have a pKa greater than approximately 11. Two pKa values were identified from the titration curve at ca. 9.6 and 14.0 mL of added titrant. The preliminary pKa values were estimated to be 9.27 and 7.2 based on the pH at approximately half neutralisation of each acidic group.
Main test:
In the definitive test, the pKa values of the test substance were determined by titration at 20°C. Each test was performed in triplicate.
Replicate |
Ka 1 |
Ka2 |
1 |
6.37E-10±6.27E-11 |
8.14E-8 ±5.52E-9 |
2 |
4.09E-10±1.38E-10 |
6.46E-8±1.73E-9 |
3 |
4.59E-10±1.33E-10 |
6.82E-8±2.33E-9 |
pKa |
9.30±0.104 |
7.15±0.054 |
All solution concentrations were calculated as 100 %, thus the actual amount of pure test substance in the solutions would be slightly lower. The pKa value was therefore slightly biased.
Description of key information
Determination of the dissociation constant by:
- Titration with 0.1 M HCl in distilled water (Oskarsson, 2006)
- Potentiometric titration according to EPA OPPTS 830.7370 (Flack, 2000)
Key value for chemical safety assessment
- pKa at 20°C:
- 6.9
Additional information
- Approximately 9 for the two primary amine groups and approximately 6.9 for the tertiary amine group (Oskarsson, 2006)
- 9.30±0.104 and 7.15 ± 0.054 at 20°C (Flack, 2000)
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