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EC number: 935-853-6 | 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
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Between 04 June 2009 and 17 August 2009
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: 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.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Date of inspection: 19/08/2008 Date of Signature: 04/03/2009
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Reaction mass of bis(epoxyethyl) benzene and (ethylphenyl) oxirane.
- IUPAC Name:
- Reaction mass of bis(epoxyethyl) benzene and (ethylphenyl) oxirane.
- Reference substance name:
- Reaction mass of 2-(3-ethylphenyl)oxirane and 2,2’-(1,3-phenylene)dioxirane and 2,2'-(1,4-phenylene)dioxirane
- EC Number:
- 935-853-6
- IUPAC Name:
- Reaction mass of 2-(3-ethylphenyl)oxirane and 2,2’-(1,3-phenylene)dioxirane and 2,2'-(1,4-phenylene)dioxirane
- Details on test material:
- - Name of test material (as cited in study report): Reaction mass of bis(epoxyethyl) benzene and (ethylphenyl) oxirane
- Substance type: Multiconstituent
- Physical state: clear extremely pale yellow liquid
- Analytical purity: 80 - 95%
- Lot/batch No.: 200901317-17
- Stability under test conditions : undergoes hydrolysis
- Storage condition of test material : approximately 4°C in the dark
Constituent 1
Constituent 2
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- >= 1.36 - <= 2.68
- Temp.:
- 30 °C
- pH:
- ca. 7
- Details on results:
- Results:
Preliminary estimate:
Approximate solubility in n-octanol: >1.00 x 103 g/l
Aproximate solubility in water: <1.50 x 10E-3 g/l
Approximate Pow: >6.69 x 10E5
Log10 Pow: >5.83
Results from definitive test:
Overrall Log Pow range 1.36 to 2.68
Partition coefficient: 22.9 to 475 .
Any other information on results incl. tables
Preliminary Estimate:
The predictions obtained by a fragment constant methodology using the specialised chemical estimation software, KOWWIN, version 1.67, © 2000 US Environmental Protection Agency, were a log10 Pow value of 1.18 for the 2,2’-(phenylene)bis-oxirane components and a log10 Pow value of 2.63 for the 2-(ethylphenyl)-oxirane components, the software being unable to distinguish between structural isomers.
Definitive test:
Calibration:
The retention times of the deadtime and the retention times, capacity factors (k) and log10Powvalues for the reference standards are shown in the following tables:
Table 1.
Dead Time |
Retention Time (mins) |
Mean Retention Time (mins) |
|
Injection 1 |
Injection 2 |
||
Thiourea |
2.219 |
2.237 |
2.228 |
Table 2.
Standard |
Retention Time (mins) |
Mean Retention Time (mins) |
Capacity Factor (k) |
Log10Pow |
|
Injection 1 |
Injection 2 |
||||
Aniline |
3.553 |
3.553 |
3.553 |
0.595 |
0.9 |
Benzyl alcohol |
4.121 |
4.118 |
4.120 |
0.849 |
1.1 |
Benzonitrile |
6.265 |
6.255 |
6.260 |
1.810 |
1.6 |
Benzene |
10.825 |
10.813 |
10.819 |
3.856 |
2.1 |
Toluene |
17.176 |
17.156 |
17.166 |
6.705 |
2.7 |
Naphthalene |
24.576 |
24.543 |
24.560 |
10.023 |
3.6 |
Partition coefficient sample:
The retention times, capacity factors and log10Powvalues determined for the sample are shown in the following table:
Table 3.
Peak Number |
Injection |
Retention Time (mins) |
Capacity Factor (k) |
Log10Pow |
Mean |
1 |
1 |
5.905 |
1.650 |
1.36 |
1.36 |
2 |
5.910 |
1.653 |
1.36 |
||
2 |
1 |
12.738 |
4.717 |
2.21 |
2.21 |
2 |
12.763 |
4.728 |
2.21 |
||
3 |
1 |
16.527 |
6.418 |
2.68 |
2.68 |
2 |
16.545 |
6.426 |
2.68 |
Overall log10Powrange: 1.36
to 2.68
Partition coefficient: 22.9 to 475
The percentage area normalisation data for the peaks monitored is shown in the following table:
Table 4.
Peak Number |
Percentage Area Normalisation (%) |
||
Injection 1 |
Injection 2 |
Mean |
|
1 |
81.7 |
82.0 |
81.8 |
2 |
3.11 |
3.01 |
3.06 |
3 |
15.2 |
15.0 |
15.1 |
Discussion:
Substances having a log10 Pow greater than 3 are regarded as having the potential to bioaccumulate in the environment.
In the absence of any dissociating functional groups on the test material, no specific manipulation of the mobile phase pH was necessary to ensure that the test material was in a non-ionised state. Therefore the determination was performed at an approximately neutral pH.
The partition coefficient definitive experimental results, when compared to the computer estimate values, further supported the identities of peak 1 being a combined response for the twobis(epoxyethyl) benzenecomponents (an estimated value of 1.18 versus an experimental value of 1.36) and that peak 2 and peak 3 are the(ethylphenyl) oxiranecomponents (an estimated value of 2.63 versus experimental values of 2.21 and 2.68), although the elution order for these last two components can not be readily predicted.
Conclusion:
The partition coefficient of the test material has been determined to be 22.9 to 475, log10 Pow 1.36 to 2.68.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test material has been determined to be 22.9 to 475, log10 Pow 1.36 to 2.68.
- Executive summary:
Method:
The determination was carried out using the HPLC Method, Method A8 Partition Coefficient of CommissionRegulation (EC) No 440/2008 of 30 May 2008.
Conclusion:
The partition coefficient of the test material has been determined to be 22.9 to 475, log10 Pow 1.36 to 2.68.
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