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Diss Factsheets
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EC number: 701-052-3 | CAS number: 146987-98-6
- 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
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Model considered reliable by OECD
Data source
Reference
- Reference Type:
- other: unpublished calculation
- Title:
- Determination of physico-chemical properties and environmental fate using EPIWIN v4.0
- Author:
- Evonik
- Year:
- 2 009
- Bibliographic source:
- http://epa.gov/oppt/exposure/pubs/episuite.htm
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl] represent a mixture containing C8-, C10-, C12-, C14-, C16-, and C18-alkyl side chains. Based on this and the variable composition of the compound (alkyl chain distribution dependent on origin of the fatty acid) the calculation of physico-chemical properties for the mixture is not feasible. To get a hint on the physico-chemical data, a calculation was conducted for the C8, C12 derivate (with 40-60 percentages in a substance) and the C18 derivates. The water solubilities of the C8, C12 and C18 derivates were calculated using EPIWIN v4.0, WSKOW v1.41.
- GLP compliance:
- no
- Remarks:
- not applicable
- Type of method:
- other: QSAR
Test material
- Reference substance name:
- Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
- IUPAC Name:
- Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
Constituent 1
Results and discussion
Water solubilityopen allclose all
- Water solubility:
- 257 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: C8 derivate
- Water solubility:
- 2.6 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: C12 derivate
- Water solubility:
- 0.003 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: C18 derivate
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): other: insoluble - soluble
Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl] represent a mixture containing C8-, C10-, C12-, C14-, C16-, and C18-alkyl side chains. Based on this and the variable composition of the compound (alkyl chain distribution dependent on origin of the fatty acid) the calculation of physico-chemical properties for the mixture is not feasible. To get a hint on the physico-chemical data, a calculation was conducted for the C8, C12 and the C18 derivates. Based on the log Kow values of 2.44 (C8 derivate), 4.4 (C12 derivate) and 7.35 (C18 derivate), water solubilities of 257 mg/L (C8 derivate), 2.623 mg/L (C12 derivate) and 0.0025 mg/L (C18 derivate, at 25 °C each) were calculated using EPIWIN v4.0, WSKOW v1.41. The calculation of the water solubilities using the fragment method yielded values of 4660 mg/L (C8 derivate), 41.269 mg/L (C12 derivate) and 0.032 mg/L (C18 derivate; at 25°C each). According to the classification scheme, the C8 derivate can be regarded as moderately soluble (result based on log Kow estimate) and soluble (result obtained via the fragment method), the C12 slightly soluble and the C18 derivate as insoluble (results based on log Kow estimate and fragment method). Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results should be treated with care.
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