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Diss Factsheets
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EC number: 936-831-9 | 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
Key value for chemical safety assessment
- Bioaccumulation potential:
- no bioaccumulation potential
Additional information
Assessment of the toxicokinetic behavior of test substance:
The test substance is a multi-constituent. The main components can be distinguished by their side chains. Component (1) is esterified with a stearic acid (molecular weight of 638 g/mol) and component (2) is esterified with palmitic acid (molecular weight of 606.9 g/mol). The multi-constituent is a clear, colorless to slightly yellowish liquid (BASF, 2012) with a log Pow of 12 at 25°C for the carboxylic acid esters with C17 alkyl chain and with a log Pow of 11 at 25°C of the carboxylic acid esters with C15 alkyl chain (BASF, calculation EPISuite, 2018). The water solubility of the multi-constituent was 12.1 mg/L at 20°C (BASF, 2012) and the vapour pressure is < 0.00001 at 25°C (BASF, calculated SPARC, 2011).
Absorption
Generally, the smaller the molecule, the more easily it may be taken up. Molecular weights below 500 g/mol are favorable for absorption; molecular weights above 1000 g/mol do not favor absorption (ECHA GD 7c, 2008). Based on the molecular weight of the main components at least a slow absorption is suggested.
This is further supported by an available reproductive/developmental screening study in Wistar rats (ERBC, 2022. EC 936-831-9), which was performed at dose levels of 100, 300 and 1000 mg/kg bw/day. The test substance was administered by oral route. As shown by adaptive liver changes, absorption of the source substance through the GI tract does occur.
Dermal absorption might occur to some extent. The molecular weight of the test substance is > 500 g/mol, which may be too large for dermal absorption. In addition, for substances with log Pow values above 6, the rate of transfer between the stratum corneum and the epidermis will be slow and will limit absorption across the skin. However, for substances with a water solubility between 1-100 mg/l and vapor pressure below 100 Pa, absorption via skin is possible (ECHA GD 7c, 2008). In addition to the mentioned physical properties, the structural analogue to the registered substance was identified as a skin sensitizer in a conducted Local Lymph Node Assay (RCC, 2003. CAS 376588-17-9). The only difference between the structural analogue and the registered substance mainly refers to the main components of the multi-constituent. The structural analogue is esterified with stearic acid (C17), whereas the registered substance is a mixture of stearate (C17) and palmitate (C15). For more details to the analogue approach please refer to chapter 13. Overall, as the test substance was identified as a skin sensitizer, some uptake must have occurred although it may only have been a small fraction of the applied dose.
No data from acute or repeated dose toxicity studies by the inhalation route are available, which could provide information about the systemic distribution of the test substance after inhalation. Inhalative exposure is not of relevance as the substance has a very low vapor pressure.
Metabolism
Once systemically available, the main components of the multi-constituent are prone to ester hydrolysis. Ester hydrolysis will transform both main components to an alcohol residue and a carboxylic acid. The only difference is limited to the identity of the carboxylic acid. Hydrolysis of component (1) will release stearic acid, while from compound (2) palmitic acid will be released. Referring to component (1), the carboxylic acid is proposed to be further metabolized via beta-oxidation to palmitic acid and acetic acid. Referring to component (2), the carboxylic acid is proposed to be further metabolized via beta-oxidation to myristic acid and acetic acid. The alcohol residue (for component 1 and 2) is proposed to be further metabolized to an aldehyde residue and afterwards an acid residue via aliphatic c-oxidation (proposed pathway assessed using kinetic modeling via OASIS TIMES v.2.31.2.82)
Excretion
The excretion pathway is largely dependent on molecular size, polarity and water solubility. Since the test substance has a molecular weight larger than 500 g/mol and only a slight solubility in water, it is expected to be excreted predominantly via feces (ECHA GD Chapter R.7c, 2017). Potential metabolites are either excreted via feces or urine, depending on their molecular size and water solubility.
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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