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EC number: 236-164-7 | CAS number: 13197-76-7
- 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
There is no requirement to generate experimental toxicokinetic data under REACH. No toxicokinetic data are identified; however a theoretical assessment of the toxicokinetic properties of the substance is made, based on existing toxicity data, (Q)SAR, and taking into account the (physico)chemical properties of the 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
BETADET S-20
The substance BETADET S-20 (CAS 13197 -76-7) is a UVCB. A theoretical toxicokinetic assessment is made for the major component (lauryl hydroxysultaine; dodecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium (~75%).
Absorption
The major component (lauryl hydroxysultaine) is predicted to be bioavailable according to Lipinski’s rules (Oasis). The estimated Log Kow value (-1.3) does not favour oral absorption; however the molecular weight and high water solubility means that oral absorption is likely. Hydrolysis and/or microbial metabolism may occur in the gastrointestinal tract, leading to the absorption of lower molecular weight breakdown products. The substance is a solid, therefore significant inhalation exposure is not predicted. The water solubility of the substance favours absorption following inhalation exposure. The water solubility of the substance favours dermal absorption; however this may be limited by the relatively high molecular weight and low lipid solubility.
In the absence of specific data, dermal absorption is assumed to be equivalent to dermal absorption; inhalation absorption is assumed to be twice that of oral absorption.
Distribution
Information from the 90-day study reports elevated liver and kidney weights, indicating that the substance and/or its metabolites are distributed to the liver and kidneys. This finding therefore indicates systemic exposure. The 90-day rat study reports slight increases in liver and kidney weights at the highest dietary concentration of 0.5% (5000 ppm, equivalent to 380 and 440 mg/kg bw/d in males and females respectively); findings were not associated with histopathology and are not therefore considered to be adverse but can be taken to indicate systemic (post-hepatic) distribution.
Metabolism
The mammalian metabolism of lauryl hydroxysultaine is predicted using OECD QSAR Toolbox (v.4). The rat liver S9 metabolism simulator predicts four oxidative metabolites. Three metabolites arise from sequential hydroxylation of the ω-carbon of the C12 sidechain to form the corresponding alcohol, aldehyde and carboxylic acid. A further metabolite is predicted to arise from hydroxylation of the (ω-1)-carbon of the C12 sidechain. The in vivo rat metabolism simulator predicts two metabolites, arising from hydroxylation of the (ω-2)- and (ω-3)- carbons on the C12 sidechain. The skin metabolism simulator predicts the oxidation of the hydroxyl group on the hydroxysultaine moiety of the intact molecule to generate an aldehyde. The molecule is predicted to be hydrolytically stable at neutral, acidic and basic pH; therefore hydrolysis in the gastrointestinal tract is not predicted. It is notable, however, that extensive microbial metabolism is predicted (>100 metabolites), indicating that metabolism by the gastrointestinal microflora may occur following oral exposure.
Excretion
Increased kidney weight in the absence of histopathological or clinical chemistry correlates in the 90-day rat study indicates an adaptive effect, possibly reflecting urinary excretion. Based on the likely extensive metabolism of the substance urinary excretion of metabolites is predicted.
Bioaccumulation
Bioaccumulation is not predicted, based on the likely metabolism and excretion of the 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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