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Diss Factsheets
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EC number: 219-147-9 | CAS number: 2373-38-8
- 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:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- structural similarity
- Reason / purpose for cross-reference:
- read-across source
- Dissociating properties:
- no
- No.:
- #1
- pKa:
- -0.75
- Remarks on result:
- other: QSAR ChemAxon
- Conclusions:
- pKa is outside pH 5 to 9.
- Executive summary:
The dissociation constant of docusate sodium as calculated with the QSAR ChemAxon is given as -0.75. Based on the same functional groups of the source and target substance the result is considered to be relevant for the target substance as WoE approach.
The pkA can be predicted to be outside the range of 5 - 9 which is given as criterion in R.7.a. Hence, the study is not needed.
- Endpoint:
- dissociation constant
- Type of information:
- not specified
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Principles of method if other than guideline:
- Assessment of the pKa based on the molecular structure of the registered substance.
- GLP compliance:
- no
- Dissociating properties:
- yes
- Remarks on result:
- other: The registered substance is a salt. Salts are reaction products of acids and bases that retain their ionic character. So salts are never undissociated. The dissociation constant is only relevant for substances with a acid or basic character.
- Conclusions:
- The dissociation constant is not relevant since the substance is a salt.
- Executive summary:
The dissociation constant study does not need to be conducted as the substance is a salt. Salts are reaction products of acids and bases that retain their ionic character. So salts are never undissociated. The dissociation constant is only relevant for substances with a acid or basic character.
For salts, the pkA can be predicted to be outside the range of 5 - 9 which is given as criterion in R.7.a. Hence, the study is not needed.
- Endpoint:
- dissociation constant
- Type of information:
- not specified
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Principles of method if other than guideline:
- Assessment of the pKa based on the molecular structure of the registered substance.
- GLP compliance:
- no
- Dissociating properties:
- no
- Remarks:
- The registered substance has no dissociating groups.
- Conclusions:
- The registered substance has no dissociating groups.
- Executive summary:
The registered substance has no dissociating groups.Hence, a study for the determination of the dissociation constant is not needed.
- Endpoint:
- dissociation constant
- Type of information:
- not specified
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Principles of method if other than guideline:
- Assessment of the pKa based on the molecular structure of the registered substance.
- GLP compliance:
- no
- Dissociating properties:
- no
- Remarks:
- The registered substance has no dissociating groups.
- Conclusions:
- The registered substance is a salt. As stated in Guidance R.7a section R.7.1.17.1 "It is important to note that the dissolution of salts from their crystal lattice into individual ions is not intended to be covered by the endpoint dissociation constant. Therefore this section refers only to acid dissociation (pKa)."
- Executive summary:
The registered substance is a salt. As stated in Guidance R.7a section R.7.1.17.1 "It is important to note that the dissolution of salts from their crystal lattice into individual ions is not intended to be covered by the endpoint dissociation constant. Therefore this section refers only to acid dissociation (pKa)."
Referenceopen allclose all
The source substance has the same functional groups when compared to the target substance. Hence, the result is considered relevant for the target substance as well.
The dissociation constant study does not need to be conducted as the substance is a salt. Salts are reaction products of acids and bases that retain their ionic character. So salts are never undissociated. The dissociation constant is only relevant for substances with a acid or basic character.
For salts, the pkA can be predicted to be outside the range of 5 - 9 which is given as criterion in R.7.a. Hence, the study is not needed.
The registered substance has no dissociating groups. Hence, a study for the determination of the dissociation constant is not needed.
The registered substance is a salt. As stated in Guidance R.7a section R.7.1.17.1 "It is important to note that the dissolution of salts from their crystal lattice into individual ions is not intended to be covered by the endpoint dissociation constant. Therefore this section refers only to acid dissociation (pKa)."
Description of key information
The dissociation constant is not relevant since the substance is a salt.
The registered substance has no dissociating groups.Hence, a study for the determination of the dissociation constant is not needed.
Evidence that the pKa is about -0.75 is provided. The pKa is definitively not within pH 5 to 9.
Key value for chemical safety assessment
Additional information
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.