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EC number: 939-513-8 | 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Remarks:
- This is an accepted calculation method supported by a limited amount of additional validation.
- Justification for type of information:
- See attached QMRF/QPRF
- Principles of method if other than guideline:
- Method: other (calculated): Estimation by KOWWIN program, USEPA/Syracuse Research, v1.40 (see attached QMRF and QPRF).
- GLP compliance:
- no
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- -4
- Temp.:
- 20 °C
- Remarks on result:
- other: For the linear form
- Conclusions:
- A predicted log Kow of -4 ± 1 was determined for HEBMP-H using a relevant estimation method. The result is considered reliable.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Remarks:
- This is an accepted calculation method supported by a limited amount of additional validation.
- Justification for type of information:
- See attached QMRF/QPRF
- Principles of method if other than guideline:
- Method: other (calculated): Estimation by KOWWIN program, USEPA/Syracuse Research, v1.40 (see attached QMRF and QPRF).
- GLP compliance:
- no
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- -3.4
- Temp.:
- 20 °C
- Remarks on result:
- other: For the cyclic form
- Conclusions:
- A predicted log Kow of -3.4 ± 1 was determined for HEBMP-cyclic using a relevant estimation method. The result is considered reliable.
Referenceopen allclose all
Description of key information
log Kow [HEBMP-H]: -4 (QSAR)
log Kow [HEBMP-H
cyclic]: -3.4 (QSAR)
When adjusted to neutral pH range:
log Kow [linear HEBMP-H]: ≤-4
log Kow [EBMP-H
cyclic]: ≤-4
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -4
- at the temperature of:
- 20 °C
Additional information
HEBMP-xNa is freely soluble in water and, therefore, the HEBMP anion is fully dissociated from its potassium cations when in solution. The l-HEBMP anion has four P-OH groups and the c-HEBMP has three P-OH groups that can be ionised. They lose a hydrogen to form negatively charged groups (P-O-). As the pH increases, the number of ionised groups increases. Under any given conditions, the degree of ionisation of the HEBMP species is determined by the pH of the solution. At a specific pH, the degree of ionisation is the same regardless of whether the starting material was HEBMP-xNa, HEBMP-H or another salt of HEBMP.
Therefore, the log Kow predicted for HEBMP-H is directly relevant for HEBMP-xNa. The log Kow for an ionising substance will vary with pH as the ionised species will have a greater hydrophilicity and lower log Kow than the neutral species.
The log Kow of HEBMP-xNa has been read-across from the parent acid. Predicted log Kow values of -4±1 and -3.4±1 at 20°C were determined for linear HEBMP-H and cyclic HEBMP-H respectively using an appropriate QSAR estimation method. A predicted log Kow value below -4 was reported as -4. The results are considered reliable and are selected as key studies. The prediction is for the acid form. As the pH is increased to neutral, ionisation of the phosphonate groups occurs, decreasing the log Kow value. Therefore, the estimated log Kow for the unionised form was corrected for ionisation using the equation CORR = 1/1 +10A(pH-pKa) [where A = 1 for acids, -1 for bases; pH = pH-value of the environment; pKa = acid/base dissociation constant].
For environmental exposure assessment, it is appropriate to refer to the value under neutral conditions which is log Kow -4 for both constituents.
For further details of the speciation of HEBMP see PFA 2020.
Reference
PFA 2020: HEBMP speciation at pH relevant to Ecotoxicology and Toxicology, Reference: PFA.224.605.001, November 2020.
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.
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