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Diss Factsheets
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EC number: 907-578-1 | CAS number: -
- 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: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- QSAR prediction using the EPI Suite model KOCWIN v2.0.
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- QSAR prediction using the EPI Suite model KOCWIN v2.0. See QMRF and QPRF for further details.
- GLP compliance:
- no
- Remarks:
- QSAR calculation
- Type of method:
- other: estimated by calculation
- Specific details on test material used for the study:
- The QSAR predictions were performed for the reaction product of azelaic acid, amines C18 alkyl and lithium hydroxide (C27H52NO3Li), and for the reaction product of azelaic acid, amines C16 alkyl and lithium hydroxide (C25H48NO3Li).
- Type:
- Koc
- Value:
- 238.5 L/kg
- Remarks on result:
- other: Value predicted for C16 compound, estimated from logKow 4.51, corrected
- Type:
- Koc
- Value:
- 22 300 L/kg
- Remarks on result:
- other: Value predicted for C16 compound, estimated from Molecular Connectivity Index, corrected
- Type:
- log Koc
- Value:
- 4.348 dimensionless
- Remarks on result:
- other: Value predicted for C16 compound, estimated from Molecular Connectivity Index, corrected
- Type:
- log Koc
- Value:
- 2.377 dimensionless
- Remarks on result:
- other: Value predicted for C16 compound estimated from logKow 4.51, corrected
- Type:
- Koc
- Value:
- 74 050 L/kg
- Remarks on result:
- other: Value predicted for C18 compound, estimated from Molecular Connectivity Index, corrected
- Type:
- log Koc
- Value:
- 4.87 dimensionless
- Remarks on result:
- other: Value predicted for C18 compound, estimated from Molecular Connectivity Index, corrected
- Type:
- Koc
- Value:
- 830.9 L/kg
- Remarks on result:
- other: Value predicted for C18 compound, estimated from logKow 4.51, corrected
- Type:
- log Koc
- Value:
- 2.92
- Remarks on result:
- other: Value predicted for C18 compound, estimated from logKow 4.51, corrected
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- For the reaction product of azelaic acid, amines C18 alkyl and lithium hydroxide, the Koc was 830.9 L/kg and the log Koc was 2.9196 (based on a log Kow of 4.51). Based on the molecular connectivity index, the Koc was 74050 L/kg and the log Koc was 4.8695.
For the reaction product of azelaic acid, amines C16 alkyl and lithium hydroxide, the Koc was 238.5 L/kg and the log Koc was 2.3775 (based on a log Kow of 4.51). Based on the molecular connectivity index, the Koc was 22300 L/kg and the log Koc was 4.3482. - Executive summary:
The adsorption coefficient for the test item has been calculated by QSAR (KOCWIN v2.0) and is considered reliable for this endpoint. The substance consists predominantly of lithium azelate (C9H15O4Li), and the reaction product of azelaic acid, amines C18 alkyl and lithium hydroxide (C27H52NO3Li), with a minor amount of the reaction product of azelaic acid, amines C16 alkyl and lithium hydroxide (C25H48NO3Li). Lithium azelate is a readily biodegradable substance, therefore adsorption/ desorptionis not expected to be scientifically relevant.
The QSAR predictions were performed forthe reaction product of azelaic acid, amines C18 alkyl and lithium hydroxide (C27H52NO3Li), and for the reaction product of azelaic acid, amines C16 alkyl and lithium hydroxide (C25H48NO3Li).
For the reaction product of azelaic acid, amines C18 alkyl and lithium hydroxide, the Koc was 830.9 L/kg and the log Koc was 2.9196 (based on a log Kow of 4.51). Based on the molecular connectivity index, the Koc was 74050 L/kg and the log Koc was 4.8695.
For the reaction product of azelaic acid, amines C16 alkyl and lithium hydroxide, the Koc was 238.5 L/kg and the log Koc was 2.3775 (based on a log Kow of 4.51). Based on the molecular connectivity index, the Koc was 22300 L/kg and the log Koc was 4.3482.
Reference
Description of key information
For the reaction product of azelaic acid, amines C18 alkyl and lithium hydroxide, the Koc was 830.9 L/kg and the log Koc was 2.9196 (based on a log Kow of 4.51). Based on the molecular connectivity index, the Koc was 74050 L/kg and the log Koc was 4.8695.
For the reaction product of azelaic acid, amines C16 alkyl and lithium hydroxide, the Koc was 238.5 L/kg and the log Koc was 2.3775 (based on a log Kow of 4.51). Based on the molecular connectivity index, the Koc was 22300 L/kg and the log Koc was 4.3482.
Key value for chemical safety assessment
Additional information
The adsorption coefficient for the test item has been calculated by QSAR (KOCWIN v2.0) and is considered reliable for this endpoint. The substance is an UVCB and consists predominantly of lithium azelate (C9H15O4Li), and the reaction product of azelaic acid, amines C18 alkyl and lithium hydroxide (C27H52NO3Li), with a minor amount of the reaction product of azelaic acid, amines C16 alkyl and lithium hydroxide (C25H48NO3Li).
The QSAR predictions were performed forthe reaction product of azelaic acid, amines C18 alkyl and lithium hydroxide (C27H52NO3Li), and for the reaction product of azelaic acid, amines C16 alkyl and lithium hydroxide (C25H48NO3Li). Lithium azelate is a readily biodegradable , therefore adsorption/ desorption is not expected to be scientifically relevant.
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