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Diss Factsheets
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EC number: 941-570-9 | 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
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated QSAR model. Calculation for the read-across substance 2-butyl octanoic acid
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Calculation based on BCFBAF v3.01, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
Test material
- Reference substance name:
- 2-butyl octanoic acid
- IUPAC Name:
- 2-butyl octanoic acid
- Details on test material:
- - Name of test material (as cited in study report): 2-butyl octanoic acid
- Molecular formula (if other than submission substance): C12H24O2
- Molecular weight (if other than submission substance): 200.32 g/mole
- Smiles notation (if other than submission substance):O=C(O)C(CCCCCC)CCCC
- Analytical purity: not applicable
Constituent 1
Study design
- Test type:
- other: calculation
Test conditions
- Details on estimation of bioconcentration:
- BASIS INFORMATION
- Measured/calculated logPow: calculated log Pow (US EPA EPI Suite, program KOAWIN v1.10)
BASIS FOR CALCULATION OF BCF
- Estimation software: US EPA EPI Suite v4.00, program BCFBAF v3.01
- Result based on calculated log Pow of: 4.92 (estimated, KOWWIN v.1.68)
Results and discussion
Bioaccumulation factoropen allclose all
- Type:
- BCF
- Value:
- 3.162 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: regression-based method
- Type:
- BCF
- Value:
- 922.9
- Basis:
- whole body w.w.
- Remarks on result:
- other: Arnot Gobas (including biotransformation rate estimates, upper trophic)
Any other information on results incl. tables
Estimated Log BCF from regression-based method = 0.5 (BCF = 3.162 L/kg wet-wt)
Estimated Log BCF from Arnot-Gobas method (upper trophic) = 2.965 (BCF = 922.9)
Estimated Log BAF from Arnot-Gobas method (upper trophic) = 2.977 (BAF = 947.9)
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Estimated BCF from regression-based method and BCF from Arnot-Gobas method values of 3.162 (log BCF = 0.5) and 922.9 (log BCF 2.965 - upper trophic) respectively indicate not a high bioaccumulation potential of the read-across substance 2 -butyl octanoic acid in aquatic organisms.
- Executive summary:
The BCF of the read-across substance n-undecanoic acid (log Pow = 4.2) was estimated to be 3.162 L/kg ww (log BCF 0.5) regression-based method using the program BCFBAF v3.01 (Part of US EPA EPI Suite v4.00). In addition, a BCF (upper trophic) of 922.9 (log BCF = 2.965) was calculated using the method of Arnot-Gobas.
The low BCF/BAF values indicate not a high potential of the read-across substance 2 -butyl octanoic acid for bioaccumulation in aquatic organisms.
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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