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Diss Factsheets
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EC number: 270-279-3 | CAS number: 68424-19-1 This substance is identified by SDA Substance Name: C16-C18 and C18 unsaturated alkyl carboxylic acid triethanol amine salt and SDA Reporting Number: 11-006-14.
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- BCF was estimated using the BCFBAF™ v3.01 module of EPI Suite™ v.4.01. Formerly called BCFWIN™, this program estimates the fish bioconcentration factor and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors, and is analogous to the WSKOWWIN™ method. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The Estimation Programs Interface EPI Suite™ was developed by the US Environmental Protection Agency's Office of Pollution Prevention and Toxics and Syracuse Research Corporation (SRC). It is a screening-level tool, intended for use in applications such as to quickly screen chemicals for release potential and "bin" chemicals by priority for future work. Estimated values should not be used when experimental (measured) values are available. EPI Suite™ cannot be used for all chemical substances. The intended application domain is organic chemicals. Inorganic and organometallic chemicals generally are outside the domain. As the substance is an organic chemical, the application of EPI Suite is rendered valid.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- QSAR
- GLP compliance:
- no
- Type:
- BCF
- Value:
- 70.8 L/kg
- Remarks on result:
- other: BCF estimation based on regression method by the BCFBAF™ v3.01 module of EPI Suite™ v.4.11
- Type:
- BAF
- Value:
- 88.3 L/kg
- Remarks on result:
- other: BAF estimation based on regression method by the BCFBAF™ v3.01 module of EPI Suite™ v.4.11
- Conclusions:
- BCF is 70.8 L/kg based on the regression method using the BCFBAF™ v3.01 module of EPI Suite™ v.4.11. BAF is 88.3 L/kg based on Arnot Gobas using the BCFBAF™ v3.01 module of EPI Suite™ v.4.11.
- Executive summary:
BCF was estimated using the BCFBAF™ v3.01 module of EPI Suite™ v.4.11. BCFBAF™: Formerly called BCFWIN™, this program estimates fish bioconcentration factor and its logarithm using two different methods. The first is the traditional regression based on log KOW plus any applicable correction factors, and is analogous to the WSKOWWIN™ method. The second is the Arnot-Gobas method, which calculates BCF from mechanistic first principles. BCFBAF also incorporates prediction of apparent metabolism half-life in fish, and estimates BCF and BAF for three trophic levels. The regression based method yielded the following BCF value: 70 .8 L/kg wet weight (log BCF 1.85). BAF was calculated based on Arnot -Gobas as 88.3 L/kg (log BAF 1.95).
Reference
Description of key information
The BCF was calculated by QSAR BCFBAF v.3.01 (EPI Suite™ v.4.11). BAF was calculated by using the same QSAR.
Key value for chemical safety assessment
- BCF (aquatic species):
- 70.8 L/kg ww
Additional information
The corresponding log BCF value is 1.85. BAF was calculated as 88.3 L/kg (log BAF 1.95). As the substance structures fall within the intended use of the applied QSAR (organic chemicals), the result of the calculations are considered conclusive.
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