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EC number: 253-391-7 | CAS number: 37203-76-2
- 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
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2014-07-07 - 2014-07-07
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Ethyl dihydrogen phosphate
- EC Number:
- 216-603-9
- EC Name:
- Ethyl dihydrogen phosphate
- Cas Number:
- 1623-14-9
- Molecular formula:
- C2H7O4P
- IUPAC Name:
- Phosphoric acid,monoethyl ester
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- Test item:Hordaphos MDE
Synonym:phosphoric acid ethyl ester, ethyl phosphate
Content:99.2 % (sum of main components)
Physical state:colourless to brownish clear viscous liquid
CAS-No.:37203-76-2
EINECS-No.:253-391-7
Study design
- Analytical method:
- other: calculation
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= -0.14 - <= 0.32
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not determined
Any other information on results incl. tables
Preliminary estimation of the water solubility
In a stepwise procedure, increasing volumes of distilled water were added at room temperature to adefined amount of the test item. The mixtures were shaken and visually checked for any undissolvedparts. According to the observed high solubility of the test item an additional preliminary test wasperformed where to 1 ml of water defined amounts of the test item were added. The mixtures wereshaken and visually checked for any undissolved parts.
Preliminary estimation of the n-octanol solubility
A defined amount of the test item was stirred with a defined volume of n-octanol at roomtemperature and visually checked for any undissolved parts.
If the estimated log Powis above zero, the partition coefficient n-octanol / water of the test item atroom temperature can be determined with the HPLC method. Log Powvalues in the range -2 to 4can be experimentally determined by the Shake-Flask method.
Preliminary and principal visual estimation of the water solubility
To 112 mg of the test
item 0.1 ml water was added at room temperature. The mixture appeared dissolved.
According to the observed high solubility of the test item an additional
preliminary test was performed
were to 1 ml of water 1.025 g of the test
item was added. The mixture was shaken and visually
checked for
any undissolved parts. According to the preliminary visual estimation
the water solubility
of the test item was >1025
g/l.
Due to the results of the preliminary test it was assumed that the test item was completely miscible with water and a special "visual method"was applied for the main test in order to investigate the complete miscibility of the test item. In the main test of the water solubility it was shown, that the test item was miscible with water at room temperature (T=23 °C) and at T = 20.0 °C ± 0.5°Cin any ratio.
Preliminary visual estimation of the n-octanol solubility
A defined amount of the test item was stirred with increasing amounts of n-octanol at room temperature and visually checked for any undissolved parts.
The solubility of the test item in n-octanol was found to be higher than 9 kg/I (without correction ofthe purity). Thus it can be stated that the test item is miscible with n-octanol at room temperature.
The shake-flask method applies only to essentially pure substances soluble in water and n-octanoland therefore is not suitable for the test item according to EC 440/2008.
Referring to the guidance on information requirements and chemical safety assessment, chapterR.7a: endpoint specific guidance, dated February 2014, of the European Chemicals Agency, theHPLC method is very suitable for measuring the n-octanol-water-partition coefficient of mixtures ofchemical homologues. But the test item is not UV active. For this reason no appropriate detectionsystem is available to perform the HPLC method (see OECD 117).
From the chemical structure it can be assumed that the components of the test item show differentsolubility in n-octanol. Therefore, an estimation of the partition coefficient using the single solubilitiesof the test item in water and n-octanol was not possible and not sensible as well.
Thus the partition coefficient of the organic parts of the test item was evaluated with EPI Suite.
According to the certificate of analysis the test item consists of water miscible compounds suchasphosphoric acid and ethanol. The theoretical value of the n-octanol-water-partition coefficient of thecomponents of the test item was calculated with EPIWIN (EPI Suite ™)-software, v 4.10, SyracuseResearch Corp., Environmental Protection Agency).
Estimated n-octanol-water partition coefficients by EPIWIN:
compound |
Assay in wt.-% |
log Pow |
phosphoric acid |
5.3 |
* |
2-Ethanol |
4.9 |
-0.14 |
Mono ethyl phosphate |
62.2 |
-0.22 |
Di ethyl phosphate |
26.6 |
+0.32 |
Applicant's summary and conclusion
- Conclusions:
- The calculated individual values of the organic components are in the range -0.14 to 0.32.
log Kow = -0.14 to 0.32 - Executive summary:
The shake-flask method applies only to essentially pure substances soluble in water and n-octanoland therefore is not suitable for the test item according to EC 440/2008.
Referring to the guidance on information requirements and chemical safety assessment, chapterR.7a: endpoint specific guidance, dated February 2014, of the European Chemicals Agency, theHPLC method is very suitable for measuring the n-octanol-water-partition coefficient of mixtures ofchemical homologues. But the test item is not UV active. For this reason no appropriate detectionsystem is available to perform the HPLC method (see OECD 117).
From the chemical structure it can be assumed that the components of the test item show different solubility in n-octanol. Therefore, an estimation of the partition coefficient using the single solubilities of the test item in water and n-octanol was not possible and not sensible as well.
Thus the partition coefficient of the organic parts of the test item was evaluated with EPI Suite.
According to the certificate of analysis the test item consists of water miscible compounds such as phosphoric acid and ethanol. The theoretical value of the n-octanol-water-partition coefficient of the components of the test item was calculated with EPIWIN (EPI Suite ™)-software, v 4.10, SyracuseResearch Corp., Environmental Protection Agency).
The calculated individual values of the organic components are in the range -0.14 to 0.32.
log Kow = -0.14 to 0.32
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