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EC number: 223-356-0 | CAS number: 3851-87-4
- 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
Ecotoxicological Summary
Administrative data
Hazard for aquatic organisms
Freshwater
- Hazard assessment conclusion:
- PNEC aqua (freshwater)
- PNEC value:
- 0.073 mg/L
- Assessment factor:
- 100
- Extrapolation method:
- assessment factor
- PNEC freshwater (intermittent releases):
- 0.073 mg/L
Marine water
- Hazard assessment conclusion:
- PNEC aqua (marine water)
- PNEC value:
- 7.3 µg/L
- Assessment factor:
- 1 000
- Extrapolation method:
- assessment factor
STP
- Hazard assessment conclusion:
- PNEC STP
- PNEC value:
- 75 mg/L
- Assessment factor:
- 10
- Extrapolation method:
- assessment factor
Sediment (freshwater)
- Hazard assessment conclusion:
- PNEC sediment (freshwater)
- PNEC value:
- 0.48 mg/kg sediment dw
- Extrapolation method:
- equilibrium partitioning method
Sediment (marine water)
- Hazard assessment conclusion:
- PNEC sediment (marine water)
- PNEC value:
- 0.048 mg/kg sediment dw
- Extrapolation method:
- equilibrium partitioning method
Hazard for air
Air
- Hazard assessment conclusion:
- no hazard identified
Hazard for terrestrial organisms
Soil
- Hazard assessment conclusion:
- PNEC soil
- PNEC value:
- 0.054 mg/kg soil dw
- Extrapolation method:
- equilibrium partitioning method
Hazard for predators
Secondary poisoning
- Hazard assessment conclusion:
- no potential for bioaccumulation
Additional information
Conclusion on classification
Bis(3,5,5-trimethylhexanoyl) peroxide is readily biodegradable (75 % within 28 days, however failing the 10-day-window criterion).
Furthermore, under the test conditions of OECD 111 bis(3,3,5-trimethylhexanoyl) peroxide is hydrolytically unstable, with a half-life of probably less than one hour at 5 °C. At environmentally relevant temperatures, the substance will undergo hydrolytical degradation significantly faster. Seven degradation products were present in GC chromatograms but only 3,5,5-trimethylhexanoic acid (CAS no. 3302-10-1) and 2,4,4-trimethyl-1-pentanol (CAS 16325-63-6) could be identified with sufficient certainty. An additional five degradation products were detected in the hydrolysis study, but proved to be non-identifiable. Nevertheless, considering the molecular structure of the parent substance it may be assumed that also the unidentified breakdown products are smaller molecules than the parent, and more hydrophilic.
Measurements of total dissolved organic carbon in ecotoxicity tests show increasing DOC concentrations over time, supporting the hypothesised formation of degradation products with higher water solubility and lower log Pow. In a worst case approach the assessment of environmental hazards is based on the environmentally representative breakdown product 3,5,5-trimethylhexanoic acid: The rapid hydrolysis of the peroxide requires using data on the hydrolysis products for the chemical safety assessment. The representative worst case is 3,5,5-trimethylhexanoic acid, with a log Pow of 3.34 (QSAR estimate), whereas the other identifiable degradation product 2,4,4-trimethylpentan-1-ol has a log Pow of only 2.62.
Thus, in view of the rapid hydrolytical degradation, the partitioning and distribution properties of any breakdown products are relevant, instead those of bis(3,5,5-trimethylhexanoyl) peroxide itself, since the parent is not expected to be present in the environment.
The hydrolysis behaviour of bis(3,5,5-trimethylhexanoyl) peroxide implicates that aquatic toxicity tests are inevitably performed on environmentally relevant degradation products of the parent. Thus, it is justified to use distribution parameters, e.g. log Pow or Koc, for modelling the environmental fate, combined with ecotoxicity endpoints obtained from studies where bis(3,5,5-trimethylhexanoyl) peroxide itself was employed, since toxic effects are in fact exerted by the mixture of breakdown products formed hydrolytically during preparation of test solutions.
Acute toxicity values are available for all three trophic levels. The lowest aquatic acute toxicity value is reported for fish (Danio rerio (96 -h LC50 = 7.3 mg/L; geometric mean measured concentration). Chronic toxicity data are not available for the substance. Therefore, the assessment is performed on the basis of acute toxicity data, and the substance is classified accordingly.
A comparison of the lowest acute toxicity value LC50 = 7.3 mg/L with the environmental classification criteria shows that the substance does not qualify for classification as hazardous to the aquatic environment, based on acute (short-term) aquatic hazards: The LC50 is in the range of >10 to ≤100 mg/L, but the substance including its hydrolysis products neither fulfils the “not rapidly degradable” provision nor are there indications of a log Pow ≥ 4, based on QSAR calculations. Likewise, there are no indications suggesting the need for a “safety net” classification (category “Chronic 4”).
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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