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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
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EC number: - | CAS number: -
- 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_physical-and-chemical-properties.png)
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted to GLP in compliance with agreed protocols with no deviations from standard test guidelines and/or minor methodological deficiences which do not affect the quality of the relevant results
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
Test guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- Deviations:
- not applicable
- Remarks:
- Test material impure, main component contained many dissociation constants outside normal practical pH range, two of three dissociation constants within practical pH rage were close enough to overlap, carboxylic acid group extremely variable results
- Principles of method if other than guideline:
- Estimates were obtained using CD/I-Lab Web Service (ACD/pKa 8.03), computer based estimation software.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- last page of document
Test material
- Details on test material:
- - Name of test material (as cited in study report): INK BH11 M
- Substance type: dark red powder
- Lot/batch No.: MB-1A
- Storage condition of test material: room temperature in the dark
Constituent 1
Results and discussion
Any other information on results incl. tables
Dissociation Constant | Result | Functional Group |
pKa1 | 13.47 +/- 0.70 | Amide |
pKa 2 | 9.25* | Ammonium |
pKa3 | 7.88 +/- 0.20 | Secondary amine |
pKa4 | 4.71 +/- 0.10 | Carboxylic acid |
pKa5 | -0.75 +/- 0.50 | Sulphonic acid |
pKa6 | -0.98 +/- 0.18 | Sulphonic acid |
pKa7 | -1.18 +/- 0.50 | Sulphonic acid |
pKa8 | -2.05 +/- 0.40 | Amide |
* From Albert and Serjeant, Ionisation Constants of Acids and Bases, A Laboratory Manual, 1971
Applicant's summary and conclusion
- Conclusions:
- No experimented testing was considered possible using Method 112 of the OECD Guidelines for Testing of Chemicals, 12 May 1981, for the following reasons:
The test material was relatively impure; practical testing is only really possible on pure, single substances.
The main component contained many dissociation constants outside of the normal practical pH range.
Of the three dissociation constants within the practical pH range, two of these were close enough to overlap.
Method development was carried out to attempt to determine the dissociation of the carboxylic acid group; however, the results were extremely variable.
Therefore, estimates were obtained using ACDII-Lab Web Service (ACD/pKa 8.03), computer based estimation software whioch ranged from 13.47 to -2.05 depending on the functional group in question - Executive summary:
No experimented testing was considered possible using Method 112 of the OECD Guidelines for Testing of Chemicals, 12 May 1981, for the following reasons:
The test material was relatively impure; practical testing is only really possible on pure, single substances.
The main component contained many dissociation constants outside of the normal practical pH range.
Of the three dissociation constants within the practical pH range, two of these were close enough to overlap.
Method development was carried out to attempt to determine the dissociation of the carboxylic acid group; however, the results were extremely variable.
Therefore, estimates were obtained using ACDII-Lab Web Service (ACD/pKa 8.03), computer based estimation software whioch ranged from 13.47 to -2.05 depending on the functional group in question
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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