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Diss Factsheets
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EC number: 939-424-4 | CAS number: 1469983-44-5
- 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:
- supporting study
- 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:
- Comparison of dissociation constants for analogue structures
- GLP compliance:
- no
- Conclusions:
- The pKa values of Diacid 1550 are expected to be between 4 and 6.
- Executive summary:
- Above pH 6, both carboxylic functions of the diacid are expected to be
dissociated. This implies that at environmental conditions the solubility
of the Diacid 1550 will be close to the one from its salt (K, Na, etc.).
Given the exposure concentrations and the experimental values obtained for
the water solubility of the potassium salt of the Diacid 1550, the
substance is expected to be mostly soluble in aqueous environment
(environmental concentration below the solubility limit). In addition, the
presence of the second carboxylic acid functional group in the middle of
the fatty acid chain is expected to reduce any surface active properties,
rendering the Diacid 1550 a poor surfactant compared to regular fatty
acids.
Based on the above, it can be stated that under environmental conditions, the substance Diacid 1550 will not be very lipophilic.
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 18 - 21 Aug 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 112 (Dissociation Constants in Water)
- GLP compliance:
- yes (incl. QA statement)
- Dissociating properties:
- not determined
- Remarks on result:
- other: No determination technically possible
- Conclusions:
- No dissociation constants could be determined for test item.
No observations were made which might cause doubts concerning the validity of the study outcome. - Executive summary:
The conductometric method could not be applied as the test item is a UVCB substance and a distinct molecular mass is necessary for evaluation. Attempts to perform a photometric or titrimetric determination failed as the spectra in neutral, basic and acidic medium do not differ resp. no points of equivalence could be observed during titration with NaOH or HCl. Therefore, no dissociation constants could be determined for the test item DIACID 1550.
No observations were made which might cause doubts concerning the validity of the study outcome.
Referenceopen allclose all
Statement on the lipophilicity of the substance fatty acid, tall oil, reaction product with acrylic acid
The substance fatty acid, tall oil, reaction product with acrylic acid also identified as Diacid 1550, is a dicarboxylic acid substance prepared from tall oil fatty acids. As all dicarboxylic acid, it is an ionisable substance that will be present under different dissociated forms depending on the environment conditions. The pKas of the substance will determine its state (dissociated or non-dissociated) in the environment.
Diacid 1550 is structurally related with two other dicarboxylic acids, Azelaic acid and 1,4-cis-cyclohexane dicarboxylic acid. pKas values are provided for a regular fatty acid (pKa is 4.96) and for the two other examples mentioned Azelaic (pKa is 4.55 / 5.41) and 1,4-cis-cyclohexane dicarboxylic acid (pKa is 4.4/5.7).
Based on the above and given the similarities between the diacids, a read-across is acceptable. The pKa values for the Diacid 1550 are expected to be between 4 and 6. This implies that at environmental pH, the Diacid 1550 will be mostly in its dissociated form. The pH diagram below shows the different dissociation forms in function of the pH.
Above pH 6, both carboxylic functions are expected to be dissociated. This implies that at environmental conditions the solubility of the Diacid 1550 will be close to the one from its salt (K, Na, etc.). Given the exposure concentrations and the experimental values obtained for the water solubility of the potassium salt of the Diacid 1550, the substance is expected to be mostly soluble in aqueous environment (environmental concentration below the solubility limit). In addition, the presence of the second carboxylic acid functional group in the middle of the fatty acid chain is expected to reduce any surface active properties, rendering the Diacid 1550 a poor surfactant compared to regular fatty acids.
Based on the above, it can be stated that under environmental conditions, the substance Diacid 1550 will not be very lipophilic.
Figures and schemes are included as attached background material.
The conductometric method could not be applied as the test item is a mixture and a distinct molecular mass is necessary for evaluation. Attempts to perform a photometric or titrimetric determination failed as the spectra in neutral, basic and acidic medium do not differ resp. no points of equivalence could be observed during titration with NaOH or HCl. All observations support the conclusion that the test item structure is independent from pH and shows no dissociation. Therefore, no dissociation constants could be determined for the test item DIACID 1550. No observations were made which might cause doubts concerning the validity of the study outcome.
Description of key information
No experimental study could be performed, due to
The conductometric method could not be applied as the test item is a mixture and a distinct molecular mass is necessary for evaluation. No dissociation constants could be determined for the test item .The pKa values of Diacid 1550 are expected to be between 4 and 6, from an acceptable read across with a similar substance.
Key value for chemical safety assessment
- pKa at 20°C:
- 4
Additional information
The conductometric method could not be applied as the test item is a mixture and a distinct molecular mass is necessary for evaluation. No dissociation constants could be determined for the test item .
Diacid 1550 is structurally related with two other dicarboxylic acids, Azelaic acid and 1,4-cis-cyclohexane dicarboxylic acid. pKas values are provided for a regular fatty acid (pKa is 4.96) and for the two other examples mentioned Azelaic (pKa is 4.55 / 5.41) and 1,4-cis-cyclohexane dicarboxylic acid (pKa is 4.4/5.7).
Based on the above and given the similarities between the diacids, a read-across is acceptable. The pKa values for the Diacid 1550 are expected to be between 4 and 6. This implies that at environmental pH, the Diacid 1550 will be mostly in its dissociated form. Therefore it can be stated that under environmental conditions, the substance Diacid 1550 will not be very lipophilic.
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