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EC number: 246-678-3 | CAS number: 25155-25-3
- 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
Endpoint summary
Administrative data
Link to relevant study record(s)
- Endpoint:
- basic toxicokinetics, other
- Remarks:
- G.I. human passive absorption
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Objective of study:
- absorption
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Model to predict either high or low fraction absorbed for an orally administered, passively transported substance on the basis of a new absorption parameter. The model includes only two inputs: the octanol-water partition coefficient (Kow) and the dimensionless oversaturation number (OLumen). The latter is the ratio of the concentration of drug delivered to the gastro-intestinal (GI) fluid to the solubility of the drug in that environment.
- Species:
- other: Human
- Type:
- absorption
- Results:
- Absorption from gastrointestinal tract for 1 mg dose: 100%
- Type:
- absorption
- Results:
- Absorption from gastrointestinal tract for 1000 mg dose: 90%
- Executive summary:
Using a model to predict either high or low fraction absorbed for an orally administered, passively transported substance, the rates of absorption were 100 and 90% for a dose of 1 and 1000 mg, respectively.
- Endpoint:
- dermal absorption, other
- Remarks:
- QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Guideline:
- other: REACH Guidance on QSARs R.6
- Guideline:
- other: REACH Guidance on IR&CSA, Chapter R.14, Occupational exposure assessment Update to change the scope of the guidance from exposure estimation to exposure assessment
- Version / remarks:
- August 2016
- Principles of method if other than guideline:
- IH SkinPerm (v2.04) is a mathematical tool for estimating dermal absorption. The rate of mass build-up (or loss) on the skin comes from the deposition rate onto the skin minus the absorption rate into the Stratum Corneum (SC) and the amount evaporating from the skin to the air.
IH Skin Perm provides two primary dermal exposure modes to the modeler. The first is “instantaneous deposition” in which the substance is assumed to be on the skin as the result of a single exposure event. The second is “deposition over time” in which the substance is assumed to be applied at a constant rate over time. In the first case (instantaneous deposition) the above DepositionRate is zero and IH Skin Perm then works to keep track of this single dose over time as it is absorbed into the SC or evaporates from the surface of the skin. In the second case (deposition over time) the rate of the substance going to the skin is assumed constant and the thickness of the film on the skin will either increase or decrease with time depending on the relative rates of deposition and removal.
The user inputs the amount going onto the skin as a single dose or as a constant rate and IH SkinPerm calculates the amount of chemical absorbed into the SC over time until all the material disappears from the surface via absorption and evaporation or the exposure is considered to be over.
Ultimately, the program estimates the amount of chemical absorbed into the systemic circulation of the body using clearly defined assumptions.
IH SkinPerm does all of this using relatively few physical chemical inputs for the substance. The details of these calculations are all available from Dr. ten Berge (ref: specific documents in attached justification section). - Species:
- other: human
- Type of coverage:
- open
- Vehicle:
- unchanged (no vehicle)
- Details on study design:
- DATA INPUT
Molecular weight: 338.48 g/mol
Temperature: 20 °C
Vapour Pressure: 0.00012 Pa
Water solubility: 0.04 mg/L
Log Kow: 7.3
Density: 970 mg/cm3
Melting point: 37°C
SCENARIO PARAMETERS
- Instantaneous deposition
Deposition dose*: 1000 mg
Affected skin area**: 1000 cm²
Maximum skin adherence***: 0.1 mg/cm²#
Thickness of stagnant air****: 1 cm
Weight fraction: 1
Timing parameters
. Start deposition: 0 hr
. End time observation: 8 hr
Report parameters
. Calculation (intervals/hr): 10000
. Report (intervals/hr): 100
- Deposition over time
Affected skin area**: 1000 cm²
Maximum skin adherence***: 0.1 mg/cm²#
Dermal deposition rate: 1 mg/cm²/hr
Thickness of stagnant air****: 1 cm
Weight fraction: 1
Timing parameters
. Start deposition: 0 hr
. Duration of deposition: 8hr
. End time observation*: 8 hr
Report parameters
. Calculation (intervals/hr): 10000
. Report (intervals/hr): 100
*Default value defined according to the internal validation study
**Estimated skin surface of two hands of an adult.
***The maximum skin adherence refers to the substance mass per cm2 that can physically stay on the skin. This may be referenced in the literature or estimated. The maximum for solids is 3 mg/cm2 and for liquids 10 mg/cm2. If the instantaneous deposition is larger than the maximum skin adherence, the surplus is assumed to get lost.
*** 3 cm if clothing involved, 1 cm if bare skin involved
# [1,3 (or 1,4)-Phenylenebis(1-methylethylidene)]bis[ter-butyl]peroxide appears in the form of big compact blocks (92% of the test item) and powder (8% of the test item). 7% of particles present a mean diameter of 214µm, and only 0.75% of particles present a mean diameter lower than 100µm (99µm). Under standard conditions the skin adherence will be limited. - Time point:
- 8 h
- Dose:
- 1000 mg
- Parameter:
- percentage
- Absorption:
- 10 %
- Remarks on result:
- other: Instantaneous deposition
- Time point:
- 8 h
- Dose:
- 1 mg/cm²/h
- Parameter:
- percentage
- Absorption:
- 4.8 %
- Remarks on result:
- other: Deposition over time for 8 hr
- Conclusions:
- The dermal absorption of Luperox F ([1,3(or 1,4)-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide) is estimated to be low (<= 10%).
- Executive summary:
The dermal absorption of Luperox F ([1,3(or 1,4)-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide) leads to the following results, obtained using the SkinPerm v2.04 model according to the input data:
Instantaneous deposition
Deposition over time
End time observation 8 hr
Total deposition (mg) or deposition rate (mg/cm²/hr)
1000
1
Fraction absorbed (%)
10
4.8
Amount absorbed (mg)
1.76
Lag time stratum corneum (min)
7.21
Max. derm. abs. (mg/cm²/h)
0.00011
Referenceopen allclose all
Description of key information
No data on toxicokinetics, metabolism and distribution are available for [1,3(or 1,4)-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide.
Absorption
The assessment of the toxicokinetics of [1,3(or 1,4)-phenylenebis(1-methylethylidene)]bis[tert-butyl] peroxide is based on the available toxicological data and its physicochemical properties as suggested by the REACH Guidance Chapter R.7c.
The product appears in the form of big compact blocks and powder (8% of the test item with a mean diameter of 214 µm) at room temperature. The molecular weight is 338.48 g/mol for the meta and para isomers. The substance is poorly in water (0.04 mg/L) and has a very low vapor pressure (0.00012 Pa at 20 °C). The logKow of both meta and para isomers is estimated at 7.3 and a logBCF of 3.96 was calculated.
Dermal absorption
Based on its physico–chemical properties, the substance is not likely to penetrate skin to a large extent as it is a compact solid, nearly insoluble in water and with a Log Kow not in favor of dermal uptake. Therefore, the rate of absorption was estimated using the IH SkinPerm model v2.04). For an instantaneous skin deposition of 1000 mg or a deposition over time of 1mg/cm²/h for 8 h, the absorption rates after 8 hours were estimated to be 10 and 4.8%, respectively. The low absorption rate is further supported by the acute dermal toxicity study results. Moreover the substance is not a skin irritant; therefore no increase of skin absorption is expected.
Oral absorption
Based on the low solubility in water and its high lipophilic properties, the substance could be absorbed in a large extent following oral exposure. Using a model to predict either high or low fraction absorbed for an orally administered, passively transported substance, the rates of absorption were 100 and 90% for a dose of 1 and 1000 mg, respectively. The high absorption rate is further supported by the repeated oral toxicity study results.
Inhalation exposure
Based on the very low vapor pressure and on the high granulometry of the powder fraction, inhalation exposure is unlikely. However, if exposed, it is likely the substance will also be absorbed.
Therefore, according to the REACH Guidance, default values of 100, 10 and 100% will be used for oral, dermal and inhalation absorptions, respectively.
Key value for chemical safety assessment
- Bioaccumulation potential:
- low bioaccumulation potential
- Absorption rate - oral (%):
- 100
- Absorption rate - dermal (%):
- 10
- Absorption rate - inhalation (%):
- 100
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.