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Diss Factsheets
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EC number: 270-171-6 | CAS number: 68412-15-7
- 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
Short-term toxicity to fish
Administrative data
- Endpoint:
- short-term toxicity to fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPISUITE v4.11
available at: https://www.epa.gov/tsca-screening-tools/download-epi-suitetm-estimation-program-interface-v411
2. MODEL (incl. version number)
ECOSAR Version 1.11; measured PC data were entered into software as basis for calculation
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : CCCCCCCCCCCCCCCCCC(=O)(NCCN(C(=O)(CCCCCCCCCCCCCCC))CCNCCNC(=O)(CCCCCCCCCCCCCCCCC))
Octadecanoic acid, reaction products with triethylenetetramine
Linear Species with 3 chains (C18, C18, C16)
Molecular weight: 917.6
Substance specific input parameters:
Log Kow: 5.93
melting point: 81 °C
water solubility: 0.01 mg/L
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
General accepted QSAR method for prediction of aquatic toxicity.
For further information refer to attached document.
5. APPLICABILITY DOMAIN
In the development of the ECOSAR equations for neutral organics and classes with excess toxicity, the training sets generally include chemicals with log Kow values in the range of -3 to 8 and molecular weights less than 1000. However, the domain of the model is considered to be larger than the descriptor range of the training set of chemicals.
Log Kow:
Specific for Amides
Maximum LogKow: >8.5 (LC50)
Maximum LogKow: >8.0 (EC50,ChV)
6. ADEQUACY OF THE RESULT
As explained in detail in the sections above, the substance falls within the range of reliable predictivity. The substance exhibits a molecular weight and a log Kow which do not exceed the respective ranges of the model. Furthermore, the classes of Amides and Aliphatic Amines have been identified for the substance.
As emphasized by the U.S. EPA, that if no measured data are available, screening level models such as the ECOSAR Class Program may be used to predict toxicity values that can be used to indicate which chemicals may need further testing or characterization.
In conclusion the results of the estimation are considered to be sufficient to fulfil the information requirements for registration.
Data source
Materials and methods
Test material
- Reference substance name:
- Octadecanoic acid, reaction products with triethylenetetramine
- EC Number:
- 270-171-6
- EC Name:
- Octadecanoic acid, reaction products with triethylenetetramine
- Cas Number:
- 68412-15-7
- Molecular formula:
- C24H54N4O2
- IUPAC Name:
- N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;octadecanoic acid
Constituent 1
Results and discussion
Effect concentrations
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 0.5 mg/L
- Details on results:
- Ecosar Class Amides:
Fish 96-hr LC50 0.500
Daphnid 48-hr LC50 0.094
Green Algae 96-hr EC50 0.036
Applicant's summary and conclusion
- Conclusions:
- Neutral Organic SAR : Fish 96-hr LC50 0.274 * (Baseline Toxicity)
Estimated using ECOSAR Version 1.11
Algae was identified as most sensitive species, which is in line with available measured data.
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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