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EC number: 606-396-7 | CAS number: 198904-86-8
- 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:
- theoretical assessment was prepared, taking all currently available relevant information into account, based on the REACH Guidance: Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.7c Endpoint specific guidance
- Type of information:
- other: In accordance with REACH Annex VIII (8.8) an assessment of toxicokinetic behavior has been conducted to the extent that can be derived from the relevant available information.
- Adequacy of study:
- key study
- Study period:
- 26 January 2018
- Reliability:
- 1 (reliable without restriction)
- Justification for type of information:
- theoretical assessment was prepared, taking all currently available relevant information into account for BMS233101, based on the REACH Guidance: Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.7c Endpoint specific guidance
- Objective of study:
- not specified
- Qualifier:
- no guideline required
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- off white solid with 99.95% purity
- Metabolites identified:
- not measured
- Conclusions:
- A toxicokinetic assessment was performed based on the available data. Based on the physical/chemical properties of the substance, absorption factors for this substance are derived to be 10% (oral), 100% (inhalation) and 10% (dermal) for risk assessment purposes. Slight bioaccumulation potential is expected.
Reference
A toxicant can enter the body via the gastrointestinal tract, the lungs and the skin.In general, a substance needs to be dissolved before it can be taken up from the gastrointestinal tract after oral administration.BMS-233101-01 is a solid with alow water solubility(<0.492mg/L) and is thus expected to dissolve only to a minor extent in the gastrointestinal fluids.BMS-233101-01 has a relatively high molecular weight (562.7 Da), which will limit passage through biological membranes.Small amounts of the substance may be transported into epithelial cells by pinocytosis or persorption (passage through gaps in membranes left when the tips of villi are sloughed off). Based on the partition coefficient of 3.9(logPow), uptake via micellular solubilisation can be expected to take place.No data are available on the dissociation constant(s)of BMS-233101-01, therefore it is unclear in which state (ionized or not ionized) the substance will be present under physiological circumstances in the stomach or intestinal tract. However, one hydroxyl group is present, which is potentially ionisable.Since it is generally thought that ionized substances do not readily diffuse across biological membranes, the state of the substance might hamper uptake.
In conclusion, the high molecular weight (562.7Da), high logPow(3.9) and low water solubility (<0.492 mg/L) are indicative of the potential for limited systemic absorption. Therefore,for risk assessment purposes, oral absorption of BMS-233101-01 is set at 10%. Theoral toxicity data do not provide reason to deviate from the proposed oral labsorption factor.
For inhaled substances the processes of deposition of the substance on the surface of the respiratory tract and actual absorption have to be differentiated. BMS-233101-01 has avery low vapour pressure (7 *10-10Paat 25ºC),and no boiling point atatmospheric pressure (reaction and/or decomposition of the test substance starts at 214°C) which indicates that exposure to the substance as a vapour is unlikely.Determination of the particle size of BMS-233101 -01 demonstrated that about 53% has a particle size below 105μm, 51% below 60μm, 36% below 30μm and 6% of the particles are smaller than 10μm.In humans, particles with aerodynamic diameters below 100μm have the potential to be inhaled. Particles with aerodynamic diameters below 50μm may reach the thoracic region and those below 15μm may reach the alveolar region of the respiratory tract. Therefore,based on the particlesize distribution, BMS-233101 -01 is expected to be able to reach all parts of the lung upon inhalation. Dueto its very low water solubility, BMS-233101-01 is expected to be retained within the mucus. Based on the partition coefficient of 3.9(logPow), uptake via micellular solubilisation can be expected to take place. Based on these considerations, for risk assessment purposes the inhalation absorption of BMS-233101-01 is set at 100%.
BMS-233101-01 is a powder,and as its water solubility is very low, it will only dissolve to a very small extent into the surface moisture of the skin to allow uptake. The relatively large size (562.7 Da) is expected to hamper uptake aswell. Therefore,penetrance of the first skin layer, the stratum corneum (non-viable layer of corneocytes forming a complex lipid membrane), is expected to be limited. On the other hand, based on its lipohilicity, it can be predicted that the substance will be able to cross the viable epidermis.Since the logPow of the substance is 3.9 and the molecular weight is 562.7 Da, the substance specific data do nearly, but notfully,meet the criteria for 10% dermal absorption asgiven in the EndpointSpecific Guidance (MW>500 and logPow <-1or>4). However,as it is generally accepted that dermal absorption does not exceed oral absorption, 10% dermal absorption of BMS-233101 -01 is considered a realistic dermal absorption factor for risk assessment purposes. Therefore, a10% dermal absorption factor for BMS-233101 -01 isconsidered to be appropriate. The results of the toxicity studies do not provide reasons to deviate from this proposed dermal absorption factor.
Once absorbed, distribution of the test substance throughout the body is expected to below based on its low water solubility (<0.492 mg/L),relatively high molecular weight (562.7 Da) and high partition coefficient (logPow3.9).Based on a limited distribution throughout the body, but higher logPow, BMS-233101 -01 is expected to acumulate limitedly in adipose tissue.
Description of key information
A toxicokinetic assessment was performed based on the available data. Based on the physical/chemical properties of the substance, absorption factors for this substance are derived to be 10% (oral), 100% (inhalation) and 10% (dermal) for risk assessment purposes. Slight bioaccumulation potential is expected.
Key value for chemical safety assessment
- Bioaccumulation potential:
- low bioaccumulation potential
- Absorption rate - oral (%):
- 10
- 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.
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