Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 293-878-1 | CAS number: 91648-19-0
- 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 (%):
- 10
- Absorption rate - inhalation (%):
- 100
Additional information
BETADET SHR
The substance is a UVCB; the two major components are structurally very similar (differing only in the carbon chain length) and account for the large majority of the substance composition. The toxicokinetic assessment is made for the major components C12 and C14 cocamidopropyl hydroxysultaine.
Absorption
Both of the major components of the substance are predicted to be bioavailable according to Lipinski’s rules (Oasis). The estimated Log Kow values for the C12 (-2.34) and C14 (-1.36) do not favour oral absorption; however the 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 non-volatile liquid, therefore significant inhalation exposure is not predicted. The high water solubility of the substance favours absorption following inhalation exposure. The high water solubility of the substance favours dermal absorption; however the extent of dermal absorption is likely to be limited by the relatively high molecular weight (420 -460) of the major components and their very low lipid solubility. In the absence of experimental data, absorption values of 100% (inhalation), 50% (oral) and 10% (dermal) are assumed for the purposes of the risk assessment.
Distribution
Information from the OECD 422 screening study with the read-across substance C8-18 cocamidopropyl hydroxysultaine reports mild renal pathology, indicating that the substance and/or its metabolites are distributed to the kidneys. This finding therefore indicates systemic exposure. Additional findings in the study are consistent with local irritation of the gastrointestinal tract and secondary effects and do not provide any further evidence for systemic distribution.
Metabolism
The mammalian metabolism of C-12 cocamidopropyl hydroxysultaine is predicted using OECD QSAR Toolbox (v.4). The rat liver S9 metabolism simulator predicts twelve metabolites, resulting from the initial cleavage of the molecule at the amide linkage to produce the C12 carboxylic (lauric) acid. This carboxylic acid is predicted to be incorporated into normal fatty acid metabolism (β-oxidation) with the generation of acetate and correspondingly shorter fatty acids. The other product of the initial hydrolysis step is the amine, which is predicted to be subject to N-dealkylation. 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, as well as hydrolysis of the molecule at the amide group. The molecule is predicted to be hydrolytically stable at neutral pH; however hydrolysis at the amide group may occur under acidic and basic conditions; hydrolysis in the gastrointestinal tract may therefore occur to some extent. It is also notable that extensive microbial metabolism is predicted (~90 metabolites), indicating that metabolism by the gastrointestinal microflora may occur following oral exposure.
The mammalian metabolism of C-14 cocamidopropyl hydroxysultaine is predicted using OECD QSAR Toolbox (v.4). The rat liver S9 metabolism simulator predicts twelve metabolites, resulting from the initial cleavage of the molecule at the amide linkage to produce the C14 carboxylic (myristic) acid. This carboxylic acid is predicted to be incorporated into normal fatty acid metabolism (β-oxidation) with the generation of acetate and correspondingly shorter fatty acids. The other product of the initial hydrolysis step is the amine, which is predicted to be subject to N-dealkylation. The in vivo rat metabolism simulator predicts two metabolites, arising from hydroxylation of the (ω-2)- and (ω-3)- carbons on the C14 sidechain. The skin metabolism simulator predicts the oxidation of the hydroxyl group on the hydroxysultaine moiety of the intact molecule to generate an aldehyde, as well as hydrolysis of the molecule at the amide group. The molecule is predicted to be hydrolytically stable at neutral pH; however hydrolysis at the amide group may occur under acidic and basic conditions; hydrolysis in the gastrointestinal tract may therefore occur to some extent. It is also notable that extensive microbial metabolism is predicted (~100 metabolites), indicating that metabolism by the gastrointestinal microflora may occur following oral exposure.
Excretion
Histopathological findings in the kidneys in the OECD 422 screening study with the read-across substance C8-18 cocamidopropyl hydroxysultaine may indicate renal excretion. Based on the likely extensive cleavage and metabolism of the major components of the substance and incorporation into normal fatty acid metabolism, excretion may be limited to the amidopropyl hydroxysultaine portion of the molecule which is low molecular weight and water soluble and therefore likely to be excreted in the urine.
Bioaccumulation
Bioaccumulation is not predicted, based on the likely extensive metabolism and excretion of the main components. Although it is likely that metabolites of the main components will enter normal fatty acid metabolism and consequently may be incorporated into endogenous molecules, this does not represent bioaccumulation.
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.