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EC number: 700-772-5 | CAS number: 1190961-28-4
- 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:
- 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Testing was performed according to guideline
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 1,6-bis({2,2-bis[(undecyloxy)methyl]butyl}) hexanedioate
- EC Number:
- 700-772-5
- Cas Number:
- 1190961-28-4
- Molecular formula:
- N/A - too complex
- IUPAC Name:
- 1,6-bis({2,2-bis[(undecyloxy)methyl]butyl}) hexanedioate
- Test material form:
- other: liquid
- Details on test material:
- - Physical state: straw colored liquid
- Purity test date: 100% as UVCB
- Expiration date of the lot/batch: 17 September 2012
- Storage condition of test material: room temperature, in the dark
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- > 9.4
- Temp.:
- 40 °C
- pH:
- 5.8
- Remarks on result:
- other: In the absence of any relevant dissociating functional groups, no manipulation of the mobile phase pH was required to ensure a molecular form of the test item
- Details on results:
- The HPLC chromatogram showed a single peak eluting at approx. 27.2 min. By extrapolation of the calibration curve the logPow was determined to be > 9.4
Any other information on results incl. tables
Results
Injection |
Retention Time (min) |
Capacity Factor (k) |
Log k |
Log Pow |
1 |
27.150 |
20.625 |
1.314 |
> 9.4 |
2 |
27.167 |
20.638 |
1.318 |
> 9.4 |
The test material has a P'ow (corrected partition coefficient) of > 2.51 x10^9 and a logPow of > 9.4 at pH 7
Applicant's summary and conclusion
- Conclusions:
- Partition coefficient has been determined to be greater than 2.51 x 10^9, log10 Pow >9.4, using an HPLC method.
- Executive summary:
1. Test System
The determination was carried out using an 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 test system consisted of a high performance liquid chromatograph with a suitable detector and a reverse phase HPLC column, with a very low percentage of polar groups.
2. Principle of the Test
The partition coefficient of the test item was determined from its elution time in comparison with recommended reference items, using a reverse phase column. Chemicals injected onto such a column move along by partitioning between the mobile phase, which is partly aqueous, and the hydrocarbon stationary phase. Elution time will depend on the hydrocarbon/water partition coefficient.
3. Result
Partition coefficient has been determined to be greater than 2.51 x 109, log10 Pow >9.4, using an HPLC method.
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