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EC number: 268-083-8 | CAS number: 68002-70-0 This substance is identified by SDA Substance Name: C16-C22 trialkyl glyceride and SDA Reporting Number: 21-001-00.
- 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:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- Not applicable
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Estimation of Kow was made using REACH guidance (R.7.1-24) recommended softwares such as KOWWIN and SPARC
- Justification for data waiving:
- other:
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2010
Materials and methods
- Principles of method if other than guideline:
- As an experimental determination of the partition coefficient n-octanol/water using OECD 107 or 117 was not applicable due to limits of the analytical detection method, the paltition coefficient noctanol/water was assessed by estimation. It was estimated through KOWWIN and SPARC computational methods recommended in chapter R.7a, in: Guidance on information requirements and chemical safety assessment (table R.7.1-24).
- GLP compliance:
- no
- Type of method:
- other: computational methods using programs KOWWIN and SPARC as stated in table R.7.1-24 of the REACH guidance document
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Glycerides, C16-22
- EC Number:
- 268-083-8
- EC Name:
- Glycerides, C16-22
- Cas Number:
- 68002-70-0
- Molecular formula:
- Triglyceride containing a glycerol backbone esterified to fatty acids with a chain length varying from C16 to C22
- IUPAC Name:
- Tri (C16-22 fatty acyl) glycerol
- Details on test material:
- - Name of test material (as cited in study report): Fully hydrogenated high erucic acid rapeseed oil (CAS N° 84681-71-0, EC N° 283-532-8); under the SDA nomenclature, the name of this substance is ‘Glycerides, C16-22’
- Physical state: Solid (white yellow)
- Expiration date of the lot/batch: December, 2009
- Storage condition of test material: In original container, at room temperature (10-30 °C), in the dark
- Composition of test material, percentage of components: See Table 1 of appended document under 'Attached background material'
Constituent 1
Study design
- Analytical method:
- other: not applicable
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 20.74
- Remarks on result:
- other: Mean value of logPow estimated using KOWWIN and SPARC for the triglycerides of C16 chain length (lower limit)
- Type:
- log Pow
- Partition coefficient:
- 29.5
- Remarks on result:
- other: Mean value of logPow estimated using KOWWIN and SPARC for the triglyceride of C22 chain length (upper limit)
- Details on results:
- The calculations of the log Kow for the individual lower, median and upper limit of the individual compounds of fully hydrogenated high erucic acid rapeseed oil resulted in similar values when performed with programs such as KOWWIN and SPARC:
Lower limit: Mean value = 20.7 +/- 0.5 (KOWWIN: 20.99; SPARC: 20.49)
Higher limit: Mean value = 29.5 +/- 0.4 (KOWWIN: 29.83; SPARC: 29.1)
See table 2 of appended document under 'Attached background material'
Any other information on results incl. tables
The calculations of the log Kow for the individual lower, median and upper limit of the individual compounds of test substance resulted in similar values when performed with the programs KOWWIN and SPARC.
Performance of the programmes used for Log kow estimation:
The performances of the these two programs using a 138-chemical test set, the percentage of chemicals with log Kow predicted
within +1-0.5 log unit of the measured log Kow value was 89.1 and 88.5% for KOWWIN and SPARC respectively.
Applicant's summary and conclusion
- Conclusions:
- Based on the results, the log Kow of >> 99 % of the individual compounds of test substance was estimated to exceed 20.7 +/- 0.5. The upper limit of log Kow of the individual compounds of test substance (representative for app. 11 % of the molecules of the mixture) was estimated to be 29.5 +/- 0.4.
- Executive summary:
The partition coefficient of fully hydrogenated high erucic acid rapeseed oil was estimated through computational methods recommended in chapter R.7a, in: Guidance on information requirements and chemical safety assessment. The calculations were performed with the programs KOWWIN and SPARC as stated in table R.7.1-24 of the REACH guidance document.
As the test substance is a mixture of different compounds (differing in the nature and composition of the fatty acids attached to the glycerine base-structure) the log Kow was determined as individual values representing a range of values.
Based on the results, the log Kow of >> 99 % of the individual compounds of test substance was estimated to exceed 20.7 +/- 0.5. The upper limit of log Kow of the individual compounds of test substance (representative for app. 11 % of the molecules of the mixture) was estimated to be 29.5 +/- 0.4.
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