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EC number: 239-556-6 | CAS number: 15520-10-2
- 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:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2012
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Principles of method if other than guideline:
- Calculation by online available SPARC tool.
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- 10.66
- Temp.:
- 25 °C
- No.:
- #2
- pKa:
- 9.59
- Temp.:
- 25 °C
- Conclusions:
- According to the calculation by the online available SPARC tool, the pKa value for the first protonation of MPMD is 10.66 and the pKa value for the second protonation of MPMD is 9.59.
- Executive summary:
According to the calculation by the online available SPARC tool, the pKa value for the first protonation of MPMD is 10.66 and the pKa value for the second protonation of MPMD is 9.59.
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 25 June 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study (OECD TG 112) with acceptable restrictions.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- GLP compliance:
- no
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- 10.6
- Remarks on result:
- other: Temperature not given.
- Conclusions:
- The pKa of the test substance is 10.6.
- Executive summary:
The dissociation constant of the test substance was determined according to OECD TG 112 by titration. The average pKa for the two ionisable groups of the test substance is 10.6.
Referenceopen allclose all
Calculation of pKa
Water blank subtraction = BQL (< 0.01 mL at 1.04 mol/L HNO3)
First derivative local maximum between 11.5820 mL and 11.5900 mL.
Average these points for an equivalence volume of 11.586 mL titrant
Divide 11.586 by two = 5.793 mL at half equivalence point.
pH = pKa at half equivalence point
pH at 5.793 estimated at 10.64 from titration table.
Rounded to 10.6
pKa estimated at 10.6
Notes regarding the titration
The volume of titrant required to titrate our water blank was negligible at the selected HNO3 concentration. A corrected volume titration curve may also compensate for the addition of strong base in the blank titration if calculating moles of analyte titrated. This calculation was not necessary for this pKa determination.
From literature, it was expected that the test substance would display two equivalence points. Our titration curve had insufficient resolution to distinguish between the two similar pKa values. Titration at lower concentrations of analyte and titrant, titration with a base instead of an acid, or titration in a different sample matrix may allow increased resolution for this determination.
Description of key information
The average pKa for the two ionisable groups of the test substance is 10.6.
Key value for chemical safety assessment
- pKa at 20°C:
- 10.6
Additional information
The dissociation constant of the test substance was determined according to OECD TG 112 by titration. The average pKa for the two ionisable groups of the test substance is 10.6.
According to the calculation by the online available SPARC tool, the pKa value for the first protonation of MPMD is 10.66 and the pKa value for the second protonation of MPMD is 9.59.
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