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EC number: 221-487-8 | CAS number: 3115-68-2
- 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
- Type of information:
- other: expert statement
- Adequacy of study:
- key study
- Study period:
- November 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Theoretical assessment taking all currrently available relevant information into account, based on the REACH Guidance: Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.7c Endpoint specific guidance. Since this is a theoretical assessment, the Klimisch value cannot be 1.
- GLP compliance:
- no
- Type:
- absorption
- Results:
- For risk assessment purposes, 50% is used for oral and dermal absorption and 100% for inhalation absorption
- Conclusions:
- Low bioaccumulation potential based on study results
For risk assessment purposes, 50% is used for oral and dermal absorption and 100% for inhalation absorption.
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 (1). The water solubility of Tetrabutylphosphonium bromide (>882 g/L) favors dissolution of the substance in the gastrointestinal fluids and hence contact with the mucosal surface. The molecular weight (MW<500) and moderate log P value (between -1 and 4) are favorable for absorption. Tetrabutylphosphonium bromide is a salt and expected to dissociate to ions in aqueous solution to form a tetrabutylphosphonium cation and a bromide anion. As it is generally assumed that ionized substances do not readily diffuse across biological membranes, absorption is considered to be limited.
Taken together, some oral absorption of Tetrabutylphosphonium bromide is expected based on its water solubility, molecular weight, and the log P. On the other hand, absorption is expected to be limited because Tetrabutylphosphonium bromide can form ions in solution. For risk assessment purposes oral absorption of Tetrabutylphosphonium bromide is set at 50% (2). The oral toxicity data do not provide reason to deviate from the proposed oral absorption factor.
For inhaled substances the processes of deposition of the substance on the surface of the respiratory tract and the actual absorption have to be differentiated. A vapor pressure of less than 0.5 KPa and a decomposition temperature at ca. 344°C (no boiling point could be established) indicate a low volatility. Tetrabutylphosphonium bromide was visually observed to be a waxy/crystallized solid without particles. It is not likely that Tetrabutylphosphonium bromide will reach the nasopharyncheal region or subsequently the tracheo/bronchial/pulmonary region via inhalation of vapor or fine particles.
If Tetrabutylphosphonium bromide reaches the tracheobronchial region, it is likely to diffuse/dissolve into the mucus lining of the respiratory tract due to its water solubility and subsequently get absorbed due to its low molecular weight and moderate log P.
Based on the above data, for risk assessment purposes the inhalation absorption of Tetrabutylphosphonium bromide is set at 100% (2). From an exposure perspective, exposure is likely to be negligible.
Tetrabutylphosphonium bromide is a dry waxy particulate which will have to dissolve into the surface moisture of the skin before it can be absorped. According to the criteria given in the REACH Guidance (2), a default value of 100% dermal absorption should be used unless MW >500 and log Pow <-1 or >4, in which case a value of 10% skin absorption should be chosen. The MW (339.4) and log Pow (-0.44) of Tetrabutylphosphonium bromide indicate that absorption is to be expected. Systemic toxicity and mortality observed in an acute dermal toxicity study also indicate that absorption had occurred. In general, it is assumed that dermal absorption will not be higher that oral absorption, which for Tetrabutylphosphonium bromide is set at 50%.
Taken together, based on MW and log Pow, dermal absorption is expected. The oral absorption of Tetrabutylphosphonium bromide is set at 50%. Based on these considerations, for risk assessment purposes the dermal absorption of Tetrabutylphosphonium bromide is set at 50% (2).
Once absorbed, distribution of the test substance throughout the body is expected based on its water solubility and molecular weight. Absorbed Tetrabutylphosphonium bromide is most likely excreted via urine (3). Based on its partition coefficient and water solubility, Tetrabutylphosphonium bromide is not expected to accumulate in adipose tissue. It should be noted that the half-life of bromide ion in the body (3-8 days in rat, ~12 days in human) can contribute to toxicity from bromide build-up in body fluids (4).
REFERENCES
1. Martinez MN, Amidon GL. Mechanistic approach to understanding the factors affecting drug absorption: a review of fundamentals. J Clin Pharmacol 2002; 42: 620-43.
2. Guidance for the implementation of REACH. Guidance on information requirements and chemical safety assessment. Chapter R.7c: Endpoint specific guidance. European Chemical Agency, Version 2.0 November 2014.
3. Parkinson A. In: Casarett and Doull’s Toxicology, The basic science of poisons. Sixth edition. Ed. C.D. Klaassen. Chapter 6: Biotransformation of xenobiotics. McGraw-Hill, New York, 2001.
4. Pavelka S. Metabolism of bromide and its interference with the metabolism of iodine. Physiol Res. 2004;53 Suppl 1:S81-90.
Description of key information
A toxicokinetic assessment was performed based on the available data of the substance. Based on the physical/chemical properties of the substance, absorption factors for this substance are derived to be 50% (oral), 100% (inhalation) and 50% (dermal) for risk assessment purposes. The bioaccumulation potential is expected to be low.
Key value for chemical safety assessment
- Bioaccumulation potential:
- low bioaccumulation potential
- Absorption rate - oral (%):
- 50
- Absorption rate - dermal (%):
- 50
- Absorption rate - inhalation (%):
- 100
Additional information
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 (1). The water solubility of Tetrabutylphosphonium bromide (>882 g/L) favors dissolution of the substance in the gastrointestinal fluids and hence contact with the mucosal surface. The molecular weight (MW<500) and moderate log P value (between -1 and 4) are favorable for absorption. Tetrabutylphosphonium bromide is a salt and expected to dissociate to ions in aqueous solution to form a tetrabutylphosphonium cation and a bromide anion. As it is generally assumed that ionized substances do not readily diffuse across biological membranes, absorption is considered to be limited.
Taken together, some oral absorption of Tetrabutylphosphonium bromide is expected based on its water solubility, molecular weight, and the log P. On the other hand, absorption is expected to be limited because Tetrabutylphosphonium bromide can form ions in solution. For risk assessment purposes oral absorption of Tetrabutylphosphonium bromide is set at 50% (2). The oral toxicity data do not provide reason to deviate from the proposed oral absorption factor.
For inhaled substances the processes of deposition of the substance on the surface of the respiratory tract and the actual absorption have to be differentiated. A vapor pressure of less than 0.5 KPa and a decomposition temperature at ca. 344°C (no boiling point could be established) indicate a low volatility. Tetrabutylphosphonium bromide was visually observed to be a waxy/crystallized solid without particles. It is not likely that Tetrabutylphosphonium bromide will reach the nasopharyncheal region or subsequently the tracheo/bronchial/pulmonary region via inhalation of vapor or fine particles.
If Tetrabutylphosphonium bromide reaches the tracheobronchial region, it is likely to diffuse/dissolve into the mucus lining of the respiratory tract due to its water solubility and subsequently get absorbed due to its low molecular weight and moderate log P.
Based on the above data, for risk assessment purposes the inhalation absorption of Tetrabutylphosphonium bromide is set at 100% (2). From an exposure perspective, exposure is likely to be negligible.
Tetrabutylphosphonium bromide is a dry waxy particulate which will have to dissolve into the surface moisture of the skin before it can be absorped. According to the criteria given in the REACH Guidance (2), a default value of 100% dermal absorption should be used unless MW >500 and log Pow <-1 or >4, in which case a value of 10% skin absorption should be chosen. The MW (339.4) and log Pow (-0.44) of Tetrabutylphosphonium bromide indicate that absorption is to be expected. Systemic toxicity and mortality observed in an acute dermal toxicity study also indicate that absorption had occurred. In general, it is assumed that dermal absorption will not be higher that oral absorption, which for Tetrabutylphosphonium bromide is set at 50%.
Taken together, based on MW and log Pow, dermal absorption is expected. The oral absorption of Tetrabutylphosphonium bromide is set at 50%. Based on these considerations, for risk assessment purposes the dermal absorption of Tetrabutylphosphonium bromide is set at 50% (2).
Once absorbed, distribution of the test substance throughout the body is expected based on its water solubility and molecular weight. Absorbed Tetrabutylphosphonium bromide is most likely excreted via urine (3). Based on its partition coefficient and water solubility, Tetrabutylphosphonium bromide is not expected to accumulate in adipose tissue. It should be noted that the half-life of bromide ion in the body (3-8 days in rat, ~12 days in human) can contribute to toxicity from bromide build-up in body fluids (4).
REFERENCES
1. Martinez MN, Amidon GL. Mechanistic approach to understanding the factors affecting drug absorption: a review of fundamentals. J Clin Pharmacol 2002; 42: 620-43.
2. Guidance for the implementation of REACH. Guidance on information requirements and chemical safety assessment. Chapter R.7c: Endpoint specific guidance. European Chemical Agency, Version 2.0 November 2014.
3. Parkinson A. In: Casarett and Doull’s Toxicology, The basic science of poisons. Sixth edition. Ed. C.D. Klaassen. Chapter 6: Biotransformation of xenobiotics. McGraw-Hill, New York, 2001.
4. Pavelka S. Metabolism of bromide and its interference with the metabolism of iodine. Physiol Res. 2004;53 Suppl 1:S81-90.
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