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EC number: 263-233-9 | CAS number: 61800-40-6
- 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:
- September - October 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- April 13, 2004
- Deviations:
- yes
- Remarks:
- See note below
- Principles of method if other than guideline:
- The Test Item chemical structure indicated that it is neutral and it was run at neutral pH. OECD Test 117 states: Methanol/water ratios with a minimum water content of 25% should be used. The Test Item did not dissolve or chromatograph using a methanol:water 75:25 mobile phase but did chromatograph well when using a mobile phase with higher methanol content. The increased methanol content gave rise to a significant peak that could be used for OECD 117 calculations. The mobile phase used was methanol:water 88:12. The calibration standards were also run in this mobile phase. This is a minor deviation of the Method, but the calibration standards gave a good calibration curve so the deviation was acceptable.
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-ethylhexyl 12-(acetoxy)octadecanoate
- EC Number:
- 263-233-9
- EC Name:
- 2-ethylhexyl 12-(acetoxy)octadecanoate
- Cas Number:
- 61800-40-6
- Molecular formula:
- C28H54O4
- IUPAC Name:
- 2-ethylhexyl 12-(acetoxy)octadecanoate
- Reference substance name:
- 2-ethylhexyl stearate
- EC Number:
- 244-754-0
- EC Name:
- 2-ethylhexyl stearate
- Cas Number:
- 22047-49-0
- Molecular formula:
- C26H52O2
- IUPAC Name:
- 2-ethylhexyl stearate
- Reference substance name:
- 2-ethylhexyl palmitate
- EC Number:
- 249-862-1
- EC Name:
- 2-ethylhexyl palmitate
- Cas Number:
- 29806-73-3
- Molecular formula:
- C24H48O2
- IUPAC Name:
- 2-ethylhexyl palmitate
- Test material form:
- liquid
- Details on test material:
- Common Name: BT4
Source Intertek Chemicals & Materials, Allentown
Purity: 85%
ID and percent known impurities: 2-ethylhexyl stearate (12%), 2-ethylhexyl palmitate (1%), 2-ethylhexyl esters of various C18 fatty acid impurities (~3%)
Date Received at Test Facility: September 5, 2019
Storage Instructions2 Ambient Temp
Constituent 1
impurity 1
impurity 2
- Specific details on test material used for the study:
- Common Name: BT4
Source Intertek Chemicals & Materials, Allentown
Purity: 85%
ID and percent known impurities: 2-ethylhexyl stearate (12%), 2-ethylhexyl palmitate (1%), 2-ethylhexyl esters of various C18 fatty acid impurities (~3%)
Date Received at Test Facility: September 5, 2019
Storage Instructions2 Ambient Temp
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 7.6
- Temp.:
- 24 °C
- Remarks on result:
- other: See remarks below
- Details on results:
- The log Pow could not be determined as because the retention time for the Test Item’s peak was out of the calibration range. In fact, the retention time of the Test Item (approximately 36 minutes) is very far from the last standard used for the test (6.5 minutes), which was oleic acid with a log Pow of 7.6, indicating a log Pow much greater than 7.6 for the Test Item. Therefore, the extrapolation method was not used to generate a log Pow value for the Test Item.
Applicant's summary and conclusion
- Conclusions:
- The Test Item, 2-ethylhexyl 12-(acetoxy)octadecanoate displayed a weighted average log Pow of greater than 7.6.
- Executive summary:
BT4 was subjected to and OECD Guideline for the Testing of Chemicals. Test No. 117: Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method
The Test Item was dissolved by dispensing 0.05 grams into vials containing 10 mL methanol. The solution was sonicated, resulting in partial dissolution, then syringe filtered through a 0.2 µm syringe filter to produce a clear solution that was run by HPLC. Two separate samples were prepared, and each was analyzed using HPLC. Methanol, treated as samples, was used as blank.
The log Powcould not be determined because the retention time for the Test Item’s peak was out of the calibration range. In fact, the retention time of the Test Item (approximately 36 minutes) is very far from the last standard used for the test (6.5 minutes), which was oleic acid with a log Powof 7.6, indicating a log Powmuch greater than 7.6 for the Test Item. Therefore, the extrapolation method was not used to generate a log Powvalue for the Test Item. A weighted average log Pow of greater than 7.6 is used.
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