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EC number: 939-200-6 | CAS number: -
- 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)
Description of key information
No specific studies are available however based on physicochemical data, toxicity data and theoretical assessment, the basic toxicokinetics of the Reaction mass of lithium 3-hydroxy-2,2,4-trimethylpentanoate and lithium isobutyrate and sodium 3-hydroxy-2,2,4-trimethylpentanoate and sodium isobutyrate can be adequately characterised. The four components of the substance are acid salts which will dissociate under physiological conditions to generate the cations (lithium or sodium) and the corresponding acids (3-hydroxy-2,2,4-trimethylpentanoic acid or isobutyric (2-methylpropanoic) acid). These constituents are rapidly and extensively absorbed following oral exposure. Absorption following dermal exposure is likely to be less extensive. Rapid and extensive distribution is predicted. Sodium and lithium ions are not subject to metabolism, whereas the acid components will undergo metabolic processes. Based on the theoretical assessment of the toxicokinetics, no bioaccumulation is predicted for the components of this substance.
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
- Absorption rate - oral (%):
- 50
- Absorption rate - dermal (%):
- 50
- Absorption rate - inhalation (%):
- 100
Additional information
No specific studies are required. According to Column 1 of Annex VIII of the REACH regulation, assessment of the toxicokinetic behaviour of the substance (to the extent that can be derived from the relevant available information) is required and this is provided. An adequate assessment of the basic toxicokinetics of the substance can be made from the existing toxicity data and theoretical considerations, without the need for specific testing.
The substance is described as the reaction mass of the following main four components:
1. Lithium 3-hydroxy-2,2,4-trimethylpentanoate
2. Lithium isobutyrate [lithium 2-methylpropanoate]
3. Sodium 3-hydroxy-2,2,4-trimethylpentanoate
4. Sodium isobutyrate [sodium 2-methylpropanoate]
In the absence of specific data, the toxicokinetics (absorption, distribution, metabolism and excretion) of the substance components are addressed theoretically, below.
Absorption
The four components of the substance are acid salts which will dissociate under physiological conditions to generate the constituent cation (lithium or sodium) and the corresponding acids (3-hydroxy-2,2,4-trimethylpentanoic acid or isobutyric (2-methylpropanoic) acid).
Both lithium and sodium are rapidly and extensively absorbed from the gastrointestinal tract. As low molecular weight water-soluble organic acids, isobutyric acid and 3-hydroxy-2,2,4-trimethylpentanoic acid are also likely to be rapidly and extensively absorbed from the gastrointestinal tract.Data therefore indicate rapid absorption following oral administration, although the extent of absorption cannot be quantified. A default assumption of 50% oral absorption for the substance may be made for the purposes of risk assessment according to REACH Guidance.
Dermal absorption cannot be reliably quantified, but is likely to be significantly less extensive than for oral absorption. Dermal absorption of metal ions is generally very limited; the dermal absorption of isobutyric acid and 3-hydroxy-2,2,4-trimethylpentanoic acid may occur to some extent.Dermal absorption is therefore predicted, but is likely to be less rapid and extensive than oral absorption. In the absence of specific data, a default, conservative dermal absorption value of 50% may be assumed for the substance.
The Reaction mass of lithium 3-hydroxy-2,2,4-trimethylpentanoate and lithium isobutyrate and sodium 3-hydroxy-2,2,4-trimethylpentanoate and sodium isobutyrateis non-volatile; therefore inhalation exposure is not predicted unless the substance is used in situations in which liquid aerosols may be generated. If inhalation exposure were to occur, absorption is potentially extensive. A default assumption of 100% inhalation absorption may be made, if required, for the purposes of risk assessment.
Distribution
Based on water solubility, systemic distribution of absorbed sodium or lithium ions, isobutyric acid and 3-hydroxy-2,2,4-trimethylpentanoic acid is predicted. Lithium ions are known to be widely distributed; there is some evidence from the clinical use of lithium salts that lithium ions accumulate transiently in the central nervous system. Sodium ions are known to be widely distributed in the body; the plasma concentration of sodium is tightly regulated through the control of renal excretion.
Metabolism
Sodium and lithium ions are not subject to metabolism. 3-hydroxy-2,2,4-trimethylpentanoic acid may be metabolised to some extent in the liver to form the corresponding dicarboxylic acid (OECD QSAR Toolbox simulator). No hepatic metabolism is predicted for isobutyric acid; however this short-chain fatty acid is likely to be incorporated into normal metabolic processes.
Excretion
Lithium ions do not bind to plasma proteins and are subject to renal excretion. Sodium ions are present at relative high concentrations physiologically; the concentration is tightly controlled through the regulation of renal excretion. 3-hydroxy-2,2,4-trimethylpentanoic acid (and/or its predicted metabolite) are also likely to be rapidly excreted in the urine. Isobutyric acid is predicted to be incorporated into normal fatty acid metabolism and is excreted predominately as CO2.
Bioaccumulation
Based on the theoretical assessment of toxicokinetics, no bioaccumulation is predicted for the components of this substance.
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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