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EC number: 308-662-5 | CAS number: 98171-53-0
- 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
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
There were no studies available in which the toxicokinetic properties (absorption, metabolism, distribution, elimination) of the UVCB: Butanoic acid, 4-amino-4-oxosulfo-, N-coco alkyl derivates, monosodium salts, compds. with triethanolamine (in this document referred to as “complex mixture”) were investigated.
The expected toxicokinetic behaviour is derived from physico-chemical properties and results from the available acute and repeated dose toxicity studies.
Physico-chemical properties
The complex mixture is an UVCB composed of physiological-type fatty amines in an amide bond with a highly polar low molecular weight ester. The alkyl chain length of the free acids varies from seven to 17 carbon atoms. The complex mixture has a molecular weight range of 309 - 449 g/mol.
An overall solubility of the complex mixture cannot be determined as for the lowest tested concentration of 9.97 mg/L dest. H2O, sedimentation of parts of the complex mixture can be observed. After preparation of the UVCB, solubility of sodium and carbon (total organ carbon) was derived and resulted in 864 mg/L (20°C) and 919 mg/L (20°C) for solutions of 1 g/L, respectively. A vapour pressure could not be determined for the complex mixture because its value rapidly decreased at 100°C and 56.6°C. This indicates a thermally caused change of the test item. Besides, neither the normal boiling temperature nor any boiling temperature at a significant vapour pressure could be determined for the complex mixture. The QSAR modelled log POW value range, integrating individual KOW values for the homologues, varies from -0.72 – 4.2.
Absorption
Due to the nature of the complex mixture, it can be expected that short free acids will result in a good solubility in gastro-intestinal fluids which decreases and might result in a less soluble fraction for the long-chain free acids. Besides, due to its amphiphilic character the free acids will undergo micellular solubilisation by bile salts and circulate via the lymphatic system. They might therefore act as a surfactant leading to irritation of the surrounding tissue. This hypothesis is supported by the results of the respective skin and eye irritation tests and the observations made in the course of the range finding study. Besides, the molecular weight as well as the logP indicate absorption by passive diffusion to be likely.
In the acute oral toxicity study (Bioassay 2017) a toxic effect at the highest dose of 2000 mg/kg b.w. occurred (1/6 death). Cowering position (5/6 animals) and piloerection (all animals) was observed.
In a dose-range finding experiment (repeated dose toxicity study, 14 days) clinical signs were observed at 300 mg/kg bw/d (e.g. respiration sounds, plough nose-first into bedding, and piloerection) and at 1000 mg/kg bw/d (2/4 females death). Besides, local effects on the forestomach and stomach due to the irritant nature of the complex mixture were observed at 300 mg/kg bw/d and 1000 mg/kg bw/d. The effects observed at the stomach may explain the clinical effects.
During the related reproduction/developmental toxicity screening study (OECD 422), no dose-related adverse effects were observed up to the highest concentration of 300 mg/kg bw apart from marginal findings, e.g. salivation and reduced body weight gain in some animals. Differences in the effects compared to the dose-range study might be explained by differences in the individual body weights of the animals at the beginning of each study and the given doses based on a ‘dose mass/bw’ preparation.
Respiratory absorption
There are no data available on inhalation toxicity. Based on the physico-chemical profile, inhalation of the test material appears to be unlikely. At room temperature, the substance is a yellow solid material. A vapour pressure could not be determined due to thermally induced changes of the test item at 56°C and 100°C. The substance is manufactured at max. 80°C and handled at 40-50°C. Thus, formation of inhalable vapours even at higher temperatures is rather unlikely. At later stages the substance is only used as aqueous solution, inhalation of particles is not possible. The material is a technical additive and therefore not handled by the general population.
Dermal absorption
The complex mixture has a potential to be absorbed by the skin due to its amphiphilic character and potential to act as a detergent. Due to its irritant potential tested in an in vitro study (BASF, 2018), penetration may be enhanced. Though, the solid complex mixture varies in its molecular mass in a range where it may be too large to penetrate partially. The dermal uptake of parts of the complex mixture may be facilitated by the solubility properties whereas insoluble long free acids of the mixture may be hindered to cross the epidermis. In an in vivo Buehler test (FREY-TOX GmbH, 2018) a sensitizing potential was excluded and the uptake by the skin could not be observed.
In an acute dermal toxicity study (Bioassay 2017) no mortality occurred and neither signs of systemic toxicity nor local skin effects were observed. A systemic availability of the complex mixture was not proven.
Thus, local effects after dermal exposure are likely, systemic uptake via the skin on the other hand is expected to be limited.
Distribution:
The physico-chemical information of the complex mixture indicate that a wide distribution of the substance may occur due to solubility and logP. It should be considered that the differences in length of the alkyl chains will influence the distribution into cells and tissue.
Accumulative potential:
The UVCB is not assumed to accumulate in the adipose tissue as the logPow is ≤4 for the complete complex mixture. No accumulation in bone is expected. Due to the water solubility and expected wide distribution an accumulation is expected unlikely but still possible.
In the reproduction/developmental toxicity screening study (OECD 422), no dose-related specific target organ toxicity and bioaccumulation was observed.
Finally, bioaccumulation is not considered to appear for the complex mixture.
Metabolism:
No detailed information can be derived concerning the metabolism.
Most components of the UVCB have a log POW of less than 3 and can be directly eliminated without the need of metabolism.
Chain shortening by oxidation is likely to happen for the alkyl chains of the complex mixture. Absorbed alkyl chains with functional carboxyl and sulfonate groups will not undergo further metabolism as they are water soluble based on their ionic structure and will undergo direct excretion.
As no specific target organ toxicity was found in the reproduction/developmental toxicity screening study (OECD 422), a metabolism based toxicity is not expected.
Excretion:
After degradation in the liver, Phase II metabolism as well as direct elimination is possible. There are no hints that a special path is preferred. Based on the molecular weight and water solubility it can be assumed that the substance is mainly excreted via kidney and urine.
In summary:
There is no experimental evidence that the substance can be absorbed, however based on the physico-chemical properties, absorption cannot be excluded.
Those physcio-chemical properties in combination with structural elements resulting in metabolic transformations allow the conclusion that there is no potential for bioaccumulation.
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