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EC number: 269-616-7 | CAS number: 68307-94-8
- 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The estimated adsorption coefficient (log10 Koc) values ranged from log10 Koc 2.53 to 7.49 (Kow method) and 2.27 to 7.54 (MCI method).
Key value for chemical safety assessment
Additional information
No determination of the adsorption coefficient was possible by the HPLC screening method, Method C19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.
The adsorption coefficient of each of the main test item components was estimated using a computer-based atom fragment contribution method, KOCWIN, version 2.00 (September 2010) © 2000-2008 US Environmental Protection Agency. The estimated adsorption coefficient (log10Koc) values are presented in the following table:
Component |
Estimated log10Koc |
|
MCI method |
Kow method |
|
C8 monoester |
2.27 |
2.53 |
C10 monoester |
2.79 |
3.08 |
C6/C8 diester |
3.86 |
3.93 |
C8/C8 diester |
4.38 |
4.47 |
C8/C10 diester |
4.90 |
5.01 |
C10/C10 diester |
5.42 |
5.55 |
C6/C8/C8 triester |
5.98 |
5.86 |
C8/C8/C8 triester |
6.50 |
6.40 |
C8/C8/C10 triester |
7.02 |
6.94 |
C8/C10/C10 triester |
7.54 |
7.49 |
Discussion
The test item is a mixture of phosphoric acid alkyl esters and since the HPLC screening method is not suitable for organic acids, estimates of the adsorption coefficients were obtained using the specialised predictive software.
The dissociation constants of the acidic functional groups were estimated to be in the range of 1.50 to 6.47 (see Dissociation Constants in Water). Subsequently, as values of dissociation constants were less than 4.5; 10% or greater of the unionised form of the test item cannot be achieved within the environmentally relevant pH range of 5.5 to 7.5. Therefore as the unionised form of the test item is not of environmental relevance, and the HPLC estimation method is invalid for the ionised form of the acidic functional group, the specialised predictive software PCKOCWIN, version 2.00 (September 2010) © 2000 - 2008, U.S. Environmental Protection Agency was used.
The software cautioned that the adsorption coefficient of the test item may be sensitive to pH. However, based on available dissociation constant values, the test item would retain an anionic form over the whole pH range applicable to environmental assessment (5.5 to 7.5); hence the application of a negative fragment constant to the acidic functional group in the adsorption coefficient estimate, indicating that the anionic group will potentially increase the mobility of the test item in the soil/water system.
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