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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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption
- Remarks:
- other: QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- Koc was estimated using the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. KOCWIN™: Formerly called PCKOCWIN™. This program estimates the organic carbon-normalized sorption coefficient for soil and sediment; i.e. the Koc. Koc is estimated using two different models: the Sabljic molecular connectivity method with improved correction factors; and the traditional method based on log Kow (modeled or experimentally determined). 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
- Principles of method if other than guideline:
- QSAR
- Type of method:
- other: QSAR
- Media:
- other: QSAR
- Computational methods:
- Koc was estimated using the KOCWIN™ v2.00 module of EPI Suite v.4.11. KOCWIN™: Formerly called PCKOCWIN™. This program estimates the organic carbon-normalized sorption coefficient for soil and sediment; i.e. Koc. Koc is estimated using two different models: the Sabljic molecular connectivity method with improved correction factors; and the traditional method based on log Kow (modeled or experimentally determined).
- Type:
- Koc
- Value:
- 11 700
- Type:
- log Koc
- Value:
- 4.068
- Conclusions:
- Log Koc estimation is 4.01 based on MCI method using the KOCWIN™ v2.00 module of EPI Suite™ v.4.11.
- Executive summary:
Koc was estimated using the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. KOCWIN™: Formerly called PCKOCWIN™. This program estimates the organic carbon-normalized sorption coefficient for soil and sediment; i.e. Koc. Koc is estimated using two different models: the Sabljic molecular connectivity method with improved correction factors; and the traditional method based on log Kow. Koc estimated from MCI was 11700 L/kg (Log Koc 4.91) and is used for this risk assessment, due to its independency from modeled and experimentally determined Kow values.
Reference
Description of key information
Koc of oleic acid (CAS 112-80-1), i.e. 65% of the substance, was estimated using the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. KOCWIN™. The resulting value is 11700 L/kg, which corresponds to a Log Koc of 4.01. The Koc of Triethylamine CAS 102-71-6, i.e. the other 35% of the substance, was estimated using the KOCWIN™ v2.00 module of EPI Suite™ v.4.11. KOCWIN™, too. The resulting value is 10 L/kg, which corresponds to a Log Koc of 1.
Key value for chemical safety assessment
- Koc at 20 °C:
- 11 700
Other adsorption coefficients
- Type:
- other: CAS 2717-15-9 (Triethylamine CAS 102-71-6)
- Value in L/kg:
- 10
Additional information
The Koc values of both constitutents of the substance show that the substance is slightly mobile to mobile. The oleic acid adsorbs rather strongly to soils and sediments, whereas triethanolamine does not adsorb. Since however the substance is readily biodegradable, i.e. not stable in the environment, contamination of environmental compartments like surface waters, sediment, soil and groundwater via horizontal and vertical transport is not expected, independently from the adsorption behaviour of its two components. Hence, the issue of transport and distribution in all compartments of the environment is of no concern.
[LogKoc: 4.01]
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