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EC number: 262-987-6 | CAS number: 61788-56-5
- 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
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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:
- 1. SOFTWARE: KOCWIN v2.00 (2010)
2. MODEL (incl. version number): EPI Suite Version 4.11 (2012)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See QPRF
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Lithium naphthenate is a UVCB consisting of a large number of different constituents. Adsorption coefficient values have been predicted for representative structures within the UVCB. - Principles of method if other than guideline:
- - Software tool(s) used including version: KOCWIN v2.00
- Model(s) used: EPISuite V4.11 (2012) - GLP compliance:
- not specified
- Type of method:
- other: QSAR
- Media:
- other: organic carbon
- Specific details on test material used for the study:
- Lithium naphthenate consists of 70-95% lithium salts of naphthenic acids, C8-C20 and 0-3 rings, and 5-30% petroleum fraction, C12-C22, which remains unreacted from the naphthenic acid raw material. Lithium naphthenate is a UVCB containing a large number of constituents, each of which could potentially have properties varying from other constituents in the salt. Therefore, QSAR predictions have been provided for representative structures which bracket the range of potential constituents present in lithium naphthenate with regard to the molecular weight and number of cyclic groups. For further details, see QPRF.
- Representative constituent: Acidic fraction, lithium salt of C8, 0 rings
- SMILES: CCCCCCCC(=O)O([Li])
- Representative constituent: Acidic fraction, lithium salt of C8, 1 rings
- SMILES: [Li]OC(=O)CC1CCCCC1
- Representative constituent: Acidic fraction, lithium salt of C8, 2 rings
- SMILES: [Li]OC(=O)C1CC2C(CCCC2)CC1
- Representative constituent: Acidic fraction, lithium salt of C15, 3 rings
- SMILES: [Li]OC(=O)C1CC2C(CC3C(CCCC3)C2)CC1
- Representative constituent: Acidic fraction, lithium salt of C20, 0 rings
- SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O([Li])
- Representative constituent: Acidic fraction, lithium salt of C20, 1 rings
- SMILES: [Li]OC(=O)CCCCCCCCCCCCCC1CCCCC1
- Representative constituent: Acidic fraction, lithium salt of C20, 2 rings
- SMILES: [Li]OC(=O)CCCCCCCCCC1CC2C(CCCC2)CC1
- Representative constituent: Acidic fraction, lithium salt of C20, 3 rings
- SMILES: [Li]OC(=O)CCCCCC1CC2C(CC3C(CCCC3)C2)CC1
- Representative constituent: Petroleum fraction, C12
- SMILES: CCCCCCCCCCCC
- Representative constituent: Petroleum fraction, C22
- SMILES: CCCCCCCCCCCCCCCCCCCCCC - Radiolabelling:
- not specified
- Analytical monitoring:
- not specified
- Sample No.:
- #1
- Type:
- Koc
- Value:
- 0.53 L/kg
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C8, 0 rings
- Sample No.:
- #2
- Type:
- Koc
- Value:
- 0.421 L/kg
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C8, 1 rings
- Sample No.:
- #3
- Type:
- Koc
- Value:
- 0.828 L/kg
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C8, 2 rings
- Sample No.:
- #4
- Type:
- Koc
- Value:
- 3.034 L/kg
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C15, 3 rings
- Sample No.:
- #5
- Type:
- Koc
- Value:
- 972.2 L/kg
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C20, 0 rings
- Sample No.:
- #6
- Type:
- Koc
- Value:
- 763.2 L/kg
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C20, 1 rings
- Sample No.:
- #7
- Type:
- Koc
- Value:
- 230.5 L/kg
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C20, 2 rings
- Sample No.:
- #8
- Type:
- Koc
- Value:
- 68.74 L/kg
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C20, 3 rings
- Sample No.:
- #9
- Type:
- Koc
- Value:
- 196 700 L/kg
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Petroleum fraction, C12
- Sample No.:
- #10
- Type:
- Koc
- Value:
- 4 750 000 000 L/kg
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Petroleum fraction, C22
- Sample No.:
- #1
- Type:
- log Koc
- Value:
- -0.276 dimensionless
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C8, 0 rings
- Sample No.:
- #2
- Type:
- log Koc
- Value:
- -0.375 dimensionless
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C8, 1 rings
- Sample No.:
- #3
- Type:
- log Koc
- Value:
- -0.082 dimensionless
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C8, 2 rings
- Sample No.:
- #4
- Type:
- log Koc
- Value:
- 0.482 dimensionless
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C15, 3 rings
- Sample No.:
- #5
- Type:
- log Koc
- Value:
- 2.988 dimensionless
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C20, 0 rings
- Sample No.:
- #6
- Type:
- log Koc
- Value:
- 2.883 dimensionless
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C20, 1 rings
- Sample No.:
- #7
- Type:
- log Koc
- Value:
- 2.363 dimensionless
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C20, 2 rings
- Sample No.:
- #8
- Type:
- log Koc
- Value:
- 1.837 dimensionless
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Acidic fraction, lithium salt of C20, 3 rings
- Sample No.:
- #9
- Type:
- log Koc
- Value:
- 5.294 dimensionless
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Petroleum fraction, C12
- Sample No.:
- #10
- Type:
- log Koc
- Value:
- 9.677 dimensionless
- pH:
- 7
- Temp.:
- 20 °C
- Remarks on result:
- other: Representative constituent: Petroleum fraction, C22
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The adsorption coefficients of the representative constituents of lithium naphthenate are estimated by QSAR to be in the range of 0.42 to 4.75 E+09 (log Koc -0.08 to 9.68).
- Executive summary:
The adsorption coefficients of the representative structures of lithium naphthenate were estimated using a QSAR model (KOCWIN v2.00 in EPISuite v4.11, US EPA 2010).
Reference
Standard conditions assumed
The adsorption coefficients of the representative constituents of lithium naphthenate are estimated by QSAR to be in the range of 0.42 to 4.75 E+09 (log Koc -0.08 to 9.68).
Description of key information
The adsorption coefficients of the representative constituents of lithium naphthenate are estimated by QSAR to be in the range of 0.42 to 4.75 E+09 (log Koc -0.08 to 9.68).
Key value for chemical safety assessment
Additional information
The adsorption coefficients of the representative structures of lithium naphthenate were estimated using a QSAR model (KOCWIN v2.00 in EPISuite v4.11, US EPA 2010).
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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