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EC number: 235-741-0 | CAS number: 12645-31-7
- 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:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Testing was conducted between 19 May 2011 and 06 August 2011.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, done to a valid guideline and the study was conducted under GLP conditions.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- The determination was carried out using the HPLC Method designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- pH:
- ca. 7
- Remarks on result:
- other: 2-ethylhexyl dihydrogen phosphate. (Test temp not stated)
- Type:
- log Pow
- Partition coefficient:
- 2.18
- pH:
- ca. 7
- Remarks on result:
- other: Bis(2-ethylhexyl) hydrogen phosphate. (Test temp not stated)
- Details on results:
- See below.
- Conclusions:
- The partition coefficients of the test item components have been determined and are:2-ethylhexyl dihydrogen phosphate: Log10 Pow: <0.3Bis(2-ethylhexyl) hydrogen phosphate: Log10 Pow: 2.18
- Executive summary:
Method
The determination was carried out using the HPLC Method designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
Conclusion
The partition coefficients of the test item components have been determined and are shown in the following table:
Test item component
Log10Pow
Partition Coefficient
2-ethylhexyl dihydrogen phosphate
<0.3
<2.00
Bis(2-ethylhexyl) hydrogen phosphate
2.18
150
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP test conducted in accordance with internationally accepted Guideline.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- log Pow
- Partition coefficient:
- 0.7
- Temp.:
- 23 °C
- pH:
- 3.5 - 5.4
- Conclusions:
- log POW= 0.7
- Executive summary:
The partition coefficient n-octanol/waterof the test item was determined according to the consolidated version of Guideline 67/548/EEC Annex V (Council Directive 92/69/EEC) to log POW= 0.7
Referenceopen allclose all
Results
Preliminary estimate
The partition coefficient was calculated using KOWWIN v1.67a (September 2008) © 2000 U.S. Environmental Protection Agency. The full KOWWIN calculation is presented in Appendix 1 (Attachment 2 - attached background material)).
2-ethylhexyl dihydrogen phosphate: log10Pow2.65
Bis(2-ethylhexyl) hydrogen phosphate: log10Pow6.07
Definitive test
Calibration
The retention times of the dead time and the retention times, capacity factors (k) and log10Powvalues for the reference standards are shown in the following tables:
Table 10.2
Dead Time | Retention Time (mins) | Mean Retention Time (mins) | |
Injection 1 | Injection 2 | ||
Thiourea | 1.777 | 1.776 | 1.777 |
Table10.3
Standard | Retention Time (mins) | Mean Retention Time (mins) | Capacity Factor (k) | Log10k | Log10Pow | |
Injection 1 | Injection 2 | |||||
2-Butanone | 2.042 | 2.042 | 2.042 | 0.149 | -0.826 | 0.3 |
Benzene | 3.187 | 3.187 | 3.187 | 0.794 | -0.100 | 2.1 |
Toluene | 4.112 | 4.113 | 4.113 | 1.32 | 0.119 | 2.7 |
Naphthalene | 5.018 | 5.020 | 5.019 | 1.83 | 0.261 | 3.6 |
Phenanthrene | 9.283 | 9.290 | 9.287 | 4.23 | 0.626 | 4.5 |
DDT | 27.090 | 27.116 | 27.103 | 14.3 | 1.15 | 6.5 |
Partition coefficient of sample
The retention times, capacity factors and log10Powvalues determined for the sample are shown in the following table:
Table10.4
Test item component | Injection | Retention Time (mins) | Capacity Factor (k) | Log10k | Log10Pow |
2-ethylhexyl dihydrogen phosphate | 1 | 1.403 | <0.149 | <-0.826 | <0.3 |
1 | 1.399 | <0.149 | <-0.826 | <0.3 | |
Bis(2-ethylhexyl) hydrogen phosphate | 2 | 3.059 | 0.722 | -0.142 | 2.18 |
2 | 3.064 | 0.725 | -0.140 | 2.18 |
Table10.5
Test item component | Log10Pow | Partition Coefficient |
2-ethylhexyl dihydrogen phosphate | <0.3 | <2.00 |
Bis(2-ethylhexyl) hydrogen phosphate | 2.18 | 150 |
Concentration in the aqueous and n-octanol phases in the flasks:
Experiment | 1A | 1B | 2A | 2B | 3A | 3B | |||||||
Volume of the test item solution (ml) | 50 | 50 | 25 | 25 | 25 | 25 | |||||||
Volume of n-octanol (ml) | 0 | 0 | 25 | 25 | 75 | 75 | |||||||
Volume of distilled water (ml) | 100 | 100 | 50 | 50 | 50 | 50 | |||||||
Total volume of the aqueous phase (ml) | 100 | 100 | 50 | 50 | 50 | 50 | |||||||
Total volume of the n-octanol phase (ml) | 50 | 50 | 50 | 50 | 100 | 100 | |||||||
Phosphor concentration found in n-octanol phase (mg/kg) | 110 | 110 | 63 | 64 | 34 | 37 | |||||||
Phosphor concentration found in aqueous phase (mg/kg) | 11 | 14 | 11 | < 10 | < 10 | < 10 | |||||||
Phosphor concentration found in n-octanol phase (mg/l) | 91 | 91 | 52 | 53 | 28 | 31 | |||||||
Phosphor concentration found in aqueous phase (mg/l) | 11 | 14 | 11 | < 10 | < 10 | < 10 | |||||||
pH aqueous phase (22°C) | 3.5 | 4.6 | 3.7 | 5.4 | 3.9 | 3.8 |
The following partition coefficients are calculated from the measured phosphor concentration.
Partition coefficients
Experiment | POW | log POW | Average log POW |
1A | 8.27 | 0.92 | 0.87 |
1B | 6.50 | 0.81 | |
2A | 4.73 | 0.67 | 0.70 |
2B | > 5.30 | > 0.72 | |
3A | > 2.80 | > 0.45 | >0.47 |
3B | > 3.10 | > 0.49 | |
mean values (experiment 1A to 3B) | 5.12 | 0.68 | 0.7 |
Standard deviation | 2.07 | 0.18 |
|
The partition coefficients calculated from the measured phosphor concentrations decrease with the proportion of n-octanol.
Description of key information
Log Pow = 2.18 (pH = 7); Butler & White (2011); OECD 117 (HPLC Method)
Log Pow = 0.7 (pH = 3.5-5.4); Winkler (2012); OECD 107 (shake flask)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.18
Additional information
The overall endpoint determination was carried out using the HPLC Method designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
The partition coefficients of the test item components have been determined and are:
2-ethylhexyl dihydrogen phosphate: Log10 Pow: <0.3 (Partition coefficient <2.00)
Bis(2-ethylhexyl) hydrogen phosphate: Log10 Pow: 2.18 (Partition coefficent 150)
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