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Diss Factsheets
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EC number: 260-257-1 | CAS number: 56554-53-1
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated QSAR model.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- Calculation based on BCFBAF v3.01, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: calculation
- Water / sediment media type:
- natural water: freshwater
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF v3.01
- Result based on calculated log Pow of: 9.2 (estimated, KOWWIN v1.68) - Type:
- BCF
- Value:
- 0.94 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Arnot-Gobas (including biotransformation rate estimates, upper trophic)
- Type:
- BAF
- Value:
- 0.94 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: Arnot-Gobas (including biotransformation rate estimates, upper trophic)
- Details on results:
- For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
Reference
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = -0.029 (BCF = 0.9355 L/kg wet-wt)
Estimated Log BAF (upper trophic) = -0.025 (BAF = 0.943 L/kg wet-wt)
Estimated Log BCF (mid trophic) = -0.004 (BCF = 0.9899 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 0.157 (BAF = 1.437 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 0.002 (BCF = 1.005 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 0.699 (BAF = 5.004 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 1.807 (BCF = 64.19 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 5.506 (BAF = 3.208e+005 L/kg wet-wt)
Biotransformation Rate Constant:
kM (Rate Constant): 2.448 /day (10 gram fish)
kM (Rate Constant): 1.377 /day (100 gram fish)
kM (Rate Constant): 0.7742 /day (1 kg fish)
kM (Rate Constant): 0.4354 /day (10 kg fish)
Description of key information
Propane-1,2,3-triyl 3,5,5-trimethylhexanoate is expected to show low potential for bioaccumulation
Key value for chemical safety assessment
Additional information
Experimental data are not available. According to the Guidance on
information requirements and chemical safety assessment, Chapter R7.c
(ECHA, 2012), the potential for bioaccumulation can be estimated from
the log Kow value of the substance as a screening approach. Generally,
at log Kow values > 6 a decrease in BCF values is observed, probably
caused by the reduced uptake with the expected increasing molecular size
of such substances. Even though experimental data evaluating
bioaccumulation for substances with log Kow > 10 (such as
propane-1,2,3-triyl 3,5,5-trimethylhexanoate (CAS No. 56554-53-1)) is
not known, these substances are expected to have BCF values < 2000 L/kg
(criterion used to consider a substance Bioaccumulative)(Guidance on
information requirements and chemical safety assessment, Chapter 11
(ECHA, 2012). The estimated bioconcentration (BCF) and bioaccumulation
(BAF) values, calculated using the BCFBAF v3.01 program (Estimation
Programs Interface Suite™ for Microsoft® Windows v 4.10., US EPA), were
0.94 L/kg. Even though the substance is not within the applicability
domain of the model the estimated values can be considered as supporting
data indicating low bioaccumulation of the substances.
Based on the above information, no potential for bioaccumulation is to
be expected for propane-1,2,3-triyl 3,5,5-trimethylhexanoate.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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