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EC number: 701-238-4 | 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Remarks:
- other: sediment water partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- Study well documented, includes study protocol; meets generally accepted scientific principles, acceptable for assessment.
- Principles of method if other than guideline:
- TEST DETAILS: 10 g of sediment were placed in a sample bottle, along with 800 ml test solution at concentrations of 0.05, 0.10, 1.0 and 5.0 ppm in purified water or synthetic hard water. The sample bottles were then shaken by hand and allowed to settle for 30 minutes. The solution temperature and pH was then measured and the pH adjusted to 6-8 where necessary. Aliquots were removed for Day 0 analysis and the bottles then placed on a shaker at 100 cycles/minute. The pH of the solutions was readjusted on sample days where necessary. Test concentrations are equivalent to 40, 80, 800 and 4000 ug test substance (active acid) respectively.
- GLP compliance:
- no
- Type of method:
- other: other measurement
- Media:
- other: water - sediment
- Radiolabelling:
- yes
- Analytical monitoring:
- yes
- Type:
- Koc
- Value:
- 16 610 L/kg
- Type:
- log Koc
- Value:
- 4.22 dimensionless
- Sample No.:
- #1
- Phase system:
- sediment-water
- Type:
- Kp
- Value:
- >= 830 - <= 7 900 L/kg
- Matrix:
- Sediment with overlying soft water
- Remarks on result:
- other: Values across a range of test substance concentrations after 1-8 days equilibration.
- Sample No.:
- #2
- Phase system:
- sediment-water
- Type:
- Kp
- Value:
- >= 680 - <= 2 700 L/kg
- Matrix:
- Sediment with overlying hard water
- Remarks on result:
- other: Values across a range of test substance concentrations after 1-8 days equilibration.
- Conclusions:
- A Log Koc value of 4.22 was determined in a reliable study conducted according to generally accepted scientific principles.
- Endpoint:
- adsorption / desorption, other
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- Please refer to Annex 3 of the CSR and IUCLID Section 13 for justification of read-across between members of the HEDP category.
- Reason / purpose for cross-reference:
- read-across source
- Type:
- Koc
- Value:
- 116 610 L/kg
- Type:
- log Koc
- Value:
- 4.22 dimensionless
- Sample No.:
- #1
- Phase system:
- sediment-water
- Type:
- Kp
- Value:
- >= 830 - <= 7 900 L/kg
- Matrix:
- Sediment with overlying soft water
- Remarks on result:
- other: Values across a range of test substance concentrations after 1-8 days equilibration.
- Sample No.:
- #2
- Phase system:
- sediment-water
- Type:
- Kp
- Value:
- >= 680 - <= 2 700 L/kg
- Matrix:
- Sediment with overlying hard water
- Remarks on result:
- other: Values across a range of test substance concentrations after 1-8 days equilibration.
Referenceopen allclose all
ANALYSIS: Analysis was performed on days 0, 1, 2, 4 and 8. The concentration of the test substance in water was determined by liquid scintillation counting. The concentration in sediment was then calculated by difference, based on the assumption that any reduction in water concentration was due to adsorption to sediment. Due to the high level of adsorption significant change in aqueous concentration occurred, and therefore analysis of the soil was not essential.
K(sediment-water) values are expressed in litres/kilogram for soft water
Day 0 |
Day 1 |
Day 2 |
Day 4 |
Day 8 |
|
0.05 ppm |
360 |
920 |
3900 |
1300 |
1900 |
0.10 ppm |
490 |
1100 |
2300 |
1500 |
1900 |
1.0 ppm |
74 |
940 |
1000 |
1500 |
1900 |
5.0 ppm |
460 |
2400 |
830 |
5600 |
7900 |
K(sediment-water) values are expressed in litres/kilogram for hard water
Day 0 |
Day 1 |
Day 2 |
Day 4 |
Day 8 |
|
0.05 ppm |
360 |
1300 |
1300 |
1900 |
1900 |
0.10 ppm |
420 |
1100 |
1500 |
1900 |
2300 |
1.0 ppm |
140 |
1200 |
1500 |
2700 |
2000 |
5.0 ppm |
57 |
680 |
1100 |
1800 |
1800 |
The 5.0 ppm test concentration may not have reached
equilibrium over the test period due to saturation of some
of the sediment adsorption sites. Therefore, a mean value
applicable to soft water is 1900 l/kg, and to hard water,
2000 l/kg.
Description of key information
HEDP-H and its salts are expected to adsorb significantly to sediment, soil and sludge substrates based on the available study data. It is believed that the binding to organic carbon is not predominant, however it is useful for context to note that the Kd values derived from the key study appear consistent with a log Koc (equivalent) value of approximately 4.2.
Key value for chemical safety assessment
Other adsorption coefficients
- Type:
- log Kp (solids-water in sediment)
- Value in L/kg:
- 3.3
- at the temperature of:
- 12 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in soil)
- Value in L/kg:
- 2.9
- at the temperature of:
- 12 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in activated sewage sludge)
- Value in L/kg:
- 4.18
- at the temperature of:
- 12 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in raw sewage sludge)
- Value in L/kg:
- 4.08
- at the temperature of:
- 12 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in settled sewage sludge)
- Value in L/kg:
- 4.08
- at the temperature of:
- 12 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in effluent sewage sludge)
- Value in L/kg:
- 4.18
- at the temperature of:
- 12 °C
Other adsorption coefficients
- Type:
- log Kp (solids-water in suspended matter)
- Value in L/kg:
- 3.3
- at the temperature of:
- 12 °C
Additional information
- HEDP is present as HEDP-H or one of its ionised forms. The degree of ionisation depends upon the pH of the system and not whether HEDP (1-2Na), HEDP (2-3Na), HEDP-4Na, HEDP-xK salts, HEDP-H or another salt was added.
- Disassociated sodium/potassium cations. The amount of sodium/potassium present depends on which salt was added.
- Divalent and trivalent cations have much higher stability constants for binding with HEDP than the sodium or potassium ions, so would preferentially replace them. These ions include calcium (Ca2+), magnesium (Mg2+) and iron (Fe3+). Therefore, the presence of these in the environment or in biological fluids or from dietary sources would result in the formation of HEDP-dication (e.g. HEDP-Ca, HEDP-Mg) and HEDP-trication (e.g. HEDP-Fe) complexes in solution, irrespective of the starting substance/test material.
HEDP-H and its salts are mineral-binding and complexing agent, with unusual chemical properties. HEDP-H and its salts adsorb strongly to inorganic surfaces, soils and sediments, in model systems and mesocosms, despite the very low log Kow; this has implications for the approach to environmental fate modelling. High adsorption is consistent with similar behaviour seen for structural analogues, and other common complexing agents such as EDTA.
Studies on analogous phosphonate complexing agents have revealed that adsorption is correlated with concentration in the aqueous phase and also relates significantly to the type and nature of inorganic content in the substrate (Gledhill and Feijtel, 1992).
The normal approach to modelling binding behaviour in environmental exposure assessment assumes that the substance is binding only to the organic carbon present in soils, sediments, and WWTP sludges. This assumption does not apply to HEDP-H and its salts. The extent of binding to substrates is fundamental to understanding and modelling of environmental exposure, for substances like this. Therefore, adsorption / desorption data, required in Section 9.3.1 of REACH Annex IX, is an extremely important part of the data set for HEDP-H and its salts.
The nature of the adsorption of HEDP-H and its salts is believed to be primarily due to interaction with inorganic substrate or generalised surface interactions. While Koc is the conventional indicator for adsorption, the interaction with organic carbon present in the substrate may be exceeded by these other interactions in the case of HEDP-H and its salts, meaning that Koc as such is not a meaningful parameter.It is convenient for comparison purposes to determine the value of log Koc that is consistent/equivalent to the degree of sediment or soil binding exhibited by the substance.
Thus, a log Koc (equivalent) value of 4.22 was obtained by evaluating Kp (sediment-water) data in a reliable study with HEDP-H conducted according to generally accepted scientific principles (Michael, 1979). River sediments were analysed by using liquid scintillation on day 0, 1, 2, 4, 8. Methods and sample data were represented clearly and the test substance was being described adequately. The result is considered as reliable and has been assigned as key study.
Adsorption coefficient values of 0.91-0.98 for the adsorption of HEDP (2-3Na) to activated sludge and primary sludge are reported in a reviewed literature paper (Steber and Wierich, 1986a). Freundlich isotherm constants values of ca. 2600-13000 for HEDP-H were determined by following the EPA test guide method in an activated sludge (Steber and Wierich, 1986a). A paper (Jaworska, 2002) supported the measured data for water sediment and water active sludge studies. Another study (Stone, Knight and Nowack, 2002) reported that iron, copper and zinc have no discernible effect on adsorption using activated sludge as the testing medium.
Adsorption data for soils for HEDP-H were derived in an OECD 106 study using radiochemical analysis (Springborn Laboratories, 1991, reliability 2) and further values are reported in literature for HEDP (2-3Na) (Steber and Wierich, 1986b and c; reliability 4 - documentation insufficient for assessment). The adsorption values determined (Kd~10 - ~200 l/kg in both tests) are consistent with a log Koc (equivalent) value of 3.8-4.7 from the silty soils and 2.8 from the sands (Springborn Laboratories, 1991), consistent with the log Koc (equivalent) derived from the key sediment adsorption study. In further studies (Nowack and Stone, 1999; reliability 4 - secondary literature), goethite (an iron-based mineral commonly found in soil) was used as a testing substrate. High levels of adsorption of HEDP-H were reported. A study by Fischer (1991) resulted in Freundlich constants 50 – 2400 for relevant soil minerals for HEDP (2-3Na) and a Kd adsorption constant of 2042 (dimensionless) was determined for Neckar sediments with overlying Neckar water for HEDP (2-3Na) (Fischer, 1993).
A screening study using the conventional HPLC method (OECD 121) to estimate the value of Koc (organic carbon-water partition coefficient) is considered not appropriate. Adsorption behaviour onto the normal aminopropyl column used in OECD 121 would not necessarily follow the pattern of adsorption onto substrates that are of importance in the environment. Understanding of sludge binding is informative, but much less significant in the chemical safety assessment than binding to matrices with a higher inorganic content or high surface area. It is important to understand Kd directly, and preferably as a function of variables such as solid phase composition and characteristics, water hardness, dilutions, and phase ratios.
The acid, sodium and potassium salts in the HEDP category are freely soluble in water and, therefore, the HEDP anion is fully dissociated from its sodium or potassium cations when in solution. Under any given conditions, the degree of ionisation of the HEDP 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 HEDP-H, HEDP (1-2Na), HEDP (2-3Na), HEDP-4Na, HEDP-xK or another salt of HEDP.
Therefore, when a salt of HEDP is introduced into test media or the environment, the following is present (separately):
In this context, for the purpose of this assessment, read-across of data within the HEDP Category is considered to be valid.
Gledhill and Feijtel (1992) Environmental properties and safety assessment of organic phosphonates used for detergent and water treatment applications. The Handbook of Environmental Chemistry, Vol. 3, Part F, (Ed.: Hutzinger, O.), Springer-Verlag, Berlin.
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