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Diss Factsheets
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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
Boiling point
Administrative data
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- July 2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: ASTM D6417/D6352
- Deviations:
- not specified
- GLP compliance:
- no
- Type of method:
- other: Gas Chromatography Simulated Distillation technique (GC-SIMDIS)
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
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- Lot Number: BT001-084-3
Results and discussion
Boiling point
- Key result
- Boiling pt.:
- > 401 - < 591 °C
- Atm. press.:
- ca. 1 atm
- Decomposition:
- no
Applicant's summary and conclusion
- Conclusions:
- The SIMDIS data for BT4 (Lot BT001-084-3) shows that the primary components were distilled in the range of 8-16 minutes (refer to attached figures 4-7). Applying the retention time calibration curve (refer to attached figure 8), clearly provides the boiling point range of the mixture which was determined to be 401-591°C.
- Executive summary:
Boiling point range was determined using ASTM D6417/D6352 which allows for determination of boiling point or boiling point range of a single component or mixture. This assessment is accomplished using a Gas Chromatography Simulated Distillation technique often referred as GC-SIMDIS. Given that SIMDIS is a GC
technique, this approach is used to simulate the boiling point data from laboratory distillation of light to heavy petroleum/biobased components leading to boiling point determinations based on a calibrated distillation profile of a given reference standard. This approach has a significant advantage such that conventional pot distillation
methods lead to incomplete boiling point determinations due to decomposition of material in the distillation flask.
Executing SIMDIS per ASTM D6417/D6352, a Polywax standard is a mixture of n-alkyl compounds that is utilized as a reference standard to determine the boiling point of each carbon number and calibrate the boiling point with a retention time. Polywax 655 is the reference standard used for this calibration covering n-C5 to nC100. Polywax 655 is commercially available through Separation Systems (Part # SD-SS3E-05) and is sold as a solution is carbon disulfide.
A SimDis Expert software program is used to generate SIMDIST reports from acquired chromatographic data to achieve the final results. It is this retention time calibration that will allow a material’s boiling point range to be determined. See below in Figures 1-3 that illustrate the calibration of Polywax reference standard. Referring to attached figure 2, based on the SIMDIS analysis of the BT4 sample (Lot BT001-084-3), the only region of interest for retention time calibration of the Polywax standard is 2.38-18.66 mins (n-C12 to n-C60). The preparation of BT4 solution for analysis was achieved by dissolving 5 drops of BT4 (~100 mg) into 10 mL of carbon disulfide. The SIMDIS data for BT4 (Lot BT001-084-3) shows that the primary components were distilled in the range of 8-16 minutes (refer to attached Figures 4-7). Applying the retention time calibration curve (attached Figure 8), clearly provides the boiling point range of the mixture which was determined to be 401-591°C.
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