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EC number: 218-216-0 | CAS number: 2082-79-3
- 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
Description of key information
Additional information
1) Assessment of octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
Abiotic degradation
The calculated half-life for the photo-oxidation (reaction with hydroxyl radicals) of octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate in air is 8.9 hours (SRC AOP v1.92). Although the substance contains an ester bond, hydrolysis is unlikely to be the main abiotic degradation process in water. Hydrolysis half-life is estimated to be >7 years at pH 7 and 264 days at pH 8 (SRC HYDROWIN v4.00).
Biodegradation
The substance is not readily biodegradable. However, fast primary degradation has been observed. The identified primary degradation product is benzenepropanoic acid, 3,5-bis(1,1 -dimethylethyl)-4-hydroxy- (“metilox acid”; CAS no. 20170-32-5). The other product is assumed to be accordingly 1-octadecanol (CAS 112-92-5). The rate of primary degradation seems to vary depending on the test conditions. Metilox acid is based on the available result from an OECD 301B -test not readily biodegradable. 1-Octadecanol is assumed to be not persistent based on BIOWIN–predictions.
Bioaccumulation
Based on a re-evaluation of an OECD 305C bioconcentration study with fish, octadecyl 3-(3,5-di-tert butyl-4-hydroxyphenyl)propionate has a BCF of < 210-1470 and hence a moderate to high bioaccumulation potential. In addition, due to the fast primary degradation, bioaccumulation of the substance is not likely to occur in the environment.
Calculations of the BCF with standard QSARs (EPISuite 4.00) resulted in low BCF values (BCFBAF v3.00, regression based estimate: BCF = 5.77 L/kg; Arnot-Gobas method (including biotransformation rate estimates: BCF 0.8954 L/kg). A calculated BAF value indicates similar low accumulation properties as suggested by BCF(BCFBAF v3.00, Arnot-Gobas method, including biotransformation rate estimates, upper trophic: BAF 2.975 L/kg). Furthermore, the maximum diameter is markedly above the OSIRIS cut-off criterion of 17Ä, with a diamax of 35.78 Ä (OASIS Catalogic v 5.10.6). Therefore, octadecyl 3-(3,5-di-tert butyl-4-hydroxyphenyl)propionate the substance is unlikely to cross biological membranes and to accumulate to a significant extend in biota.
Transport and distribution
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate exhibits a high potential for adsorption and negligible volatilization. Mackay Level I modeling revealed, that soil and sediment are the main target compartments for octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate (Mackay Level I 3.00). Level III fugacity modeling shows that after release to surface water 98% of octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate will partition to sediment, while 2% ends up in water. When released to soil 100 % will remain in this compartment. Negligible amounts will be distributed towards the other compartments (EPISuite 4.00).
2) Assessment of the major degradation product Metilox acid (CAS: 20170-32-5)
According to a data screening, the main metabolite, Metilox acid is not readily biodegradable. Due to its physico-chemical properties in the environment it is expected to end up in the soil and to a lesser degree in the water.
Metilox acid has, based on experimental data, a BCF of 532 or lower and it has hence low to moderate bioaccumulation potential. The second primary degradation product, 1-octadecanol, has a high bioaccumulation potential based on its estimated logKow (7.72), but is not likely to be bioaccumulated in the environment due to its ready biodegradability.
These substances are supposed to be subject for REACh registration and thereby thoroughly assessed during this process.
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